EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YQQ2QQ3URK
EPA CompTox	DTXSID10218295

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YQQ2QQ3URK

EPA CompTox

DTXSID10218295


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


InChI Key	DJMQRXRWMWKDAP-UHFFFAOYSA-N
Smiles	FC(F)C(F)(F)OC=C
InChI	InChI=1/C4H4F4O/c1-2-9-4(7,8)3(5)6/h2-3H,1H2

InChI Key

DJMQRXRWMWKDAP-UHFFFAOYSA-N

Smiles

FC(F)C(F)(F)OC=C

InChI

InChI=1/C4H4F4O/c1-2-9-4(7,8)3(5)6/h2-3H,1H2

Property Name	Value
Molecular Formula	C4H4F4O
Molecular Weight	144.02
AlogP	2.0
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	3.0
Polar Surface Area	9.23
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C4H4F4O

Molecular Weight

144.02

AlogP

2.0

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

3.0

Polar Surface Area

9.23

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	681-49-2
NORMAN SUSDAT
FDA SRS	YQQ2QQ3URK
PubChem	69625

Resources

Reference

CAS NUMBER

681-49-2

NORMAN SUSDAT

FDA SRS

YQQ2QQ3URK

PubChem

69625


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).

(1,1,2,2-TETRAFLUOROETHOXY)ETHYLENE

Structure

Physicochemical Descriptors

Cross References