EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	PA8D7ZJF5T
EPA CompTox	DTXSID8061000

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

PA8D7ZJF5T

EPA CompTox

DTXSID8061000


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	QAERDLQYXMEHEB-UHFFFAOYSA-N
Smiles	FC(F)=CC(F)(F)F
InChI	InChI=1S/C3HF5/c4-2(5)1-3(6,7)8/h1H

InChI Key

QAERDLQYXMEHEB-UHFFFAOYSA-N

Smiles

FC(F)=CC(F)(F)F

InChI

InChI=1S/C3HF5/c4-2(5)1-3(6,7)8/h1H

Property Name	Value
Molecular Formula	C3H1F5
Molecular Weight	132.0
AlogP	2.33
Hydrogen Bond Acceptor	0.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	0.0
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C3H1F5

Molecular Weight

132.0

AlogP

2.33

Hydrogen Bond Acceptor

0.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

0.0

Polar Surface Area

0.0

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	690-27-7
NORMAN SUSDAT
FDA SRS	PA8D7ZJF5T
PubChem	69647
ChemSpider	62848.0

Resources

Reference

CAS NUMBER

690-27-7

NORMAN SUSDAT

FDA SRS

PA8D7ZJF5T

PubChem

69647

ChemSpider

62848.0


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

1,1,3,3,3-PENTAFLUOROPROPENE

Structure

Physicochemical Descriptors

Cross References