EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID20880967

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID20880967


InChI Key	IBBCNYCWBLECNN-UHFFFAOYSA-N
Smiles	C(F)(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChI	InChI=1S/C7HF13O/c8-1(9)2(10)21-7(19,20)6(17,18)5(15,16)4(13,14)3(11)12/h3H

InChI Key

IBBCNYCWBLECNN-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1S/C7HF13O/c8-1(9)2(10)21-7(19,20)6(17,18)5(15,16)4(13,14)3(11)12/h3H

Property Name	Value
Molecular Formula	C7H1F13O1
Molecular Weight	347.98
AlogP	4.8
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	9.23
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C7H1F13O1

Molecular Weight

347.98

AlogP

4.8

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

9.23

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	73928-40-2
NORMAN SUSDAT
PubChem	6365727
ChemSpider	4896438.0

Resources

Reference

CAS NUMBER

73928-40-2

NORMAN SUSDAT

PubChem

6365727

ChemSpider

4896438.0

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

1,1,2,2,3,3,4,4,5,5-DECAFLUORO-1-((TRIFLUOROVINYL)OXY)PENTANE

Structure

Physicochemical Descriptors

Cross References