EcoDrugPlus


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

Keyword(s):

Human Metabolites

Molecule Category

Free-form


InChI Key	DHZIKHSVLXMVQY-UHFFFAOYSA-N
Smiles	OC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)F)=O
InChI	InChI=1S/C14H3F25O2/c15-3(16,1-2(40)41)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1H2,(H,40,41)

InChI Key

DHZIKHSVLXMVQY-UHFFFAOYSA-N

Smiles

OC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)F)=O

InChI

InChI=1S/C14H3F25O2/c15-3(16,1-2(40)41)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1H2,(H,40,41)

Property Name	Value
Molecular Formula	C14H3F25O2
Molecular Weight	677.97
AlogP	8.01
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	12.0
Polar Surface Area	37.3
Heavy Atoms	41.0

Property Name

Value

Molecular Formula

C14H3F25O2

Molecular Weight

677.97

AlogP

8.01

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

12.0

Polar Surface Area

37.3

Heavy Atoms

41.0

Resources	Reference
CAS NUMBER	70887-93-3
NORMAN SUSDAT
ChemSpider	2272091.0

Resources

Reference

CAS NUMBER

70887-93-3

NORMAN SUSDAT

ChemSpider

2272091.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

12:2 FLUOROTELOMER CARBOXYLIC ACID

Structure

Physicochemical Descriptors

Cross References