EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID80371164

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID80371164


InChI Key	URIUSGOUQUQAMG-UHFFFAOYSA-N
Smiles	OCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C9H3F17O3/c10-2(1-27,5(14,15)16)28-9(25,26)4(13,7(20,21)22)29-8(23,24)3(11,12)6(17,18)19/h27H,1H2

InChI Key

URIUSGOUQUQAMG-UHFFFAOYSA-N

Smiles

OCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C9H3F17O3/c10-2(1-27,5(14,15)16)28-9(25,26)4(13,7(20,21)22)29-8(23,24)3(11,12)6(17,18)19/h27H,1H2

Property Name	Value
Molecular Formula	C9H3F17O3
Molecular Weight	481.98
AlogP	4.85
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	38.69
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C9H3F17O3

Molecular Weight

481.98

AlogP

4.85

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

38.69

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	14548-74-4
NORMAN SUSDAT
PubChem	2736150
ChemSpider	2017827.0

Resources

Reference

CAS NUMBER

14548-74-4

NORMAN SUSDAT

PubChem

2736150

ChemSpider

2017827.0

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

PERFLUORO(2-(2-PROPOXYPROPOXY)-1H,1H-PROPAN-1-OL)

Structure

Physicochemical Descriptors

Cross References