EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	VCC1NM3477
EPA CompTox	DTXSID6060472

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

VCC1NM3477

EPA CompTox

DTXSID6060472


InChI Key	WQTODPKAIPOSLC-UHFFFAOYSA-N
Smiles	CCCCCCCC(=O)F
InChI	InChI=1S/C8H15FO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3

InChI Key

WQTODPKAIPOSLC-UHFFFAOYSA-N

Smiles

CCCCCCCC(=O)F

InChI

InChI=1S/C8H15FO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3

Property Name	Value
Molecular Formula	C8H15F1O1
Molecular Weight	146.11
AlogP	2.84
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	17.07
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H15F1O1

Molecular Weight

146.11

AlogP

2.84

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

17.07

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	592-94-9
NORMAN SUSDAT
FDA SRS	VCC1NM3477
PubChem	68968
ChemSpider	9633.0

Resources

Reference

CAS NUMBER

592-94-9

NORMAN SUSDAT

FDA SRS

VCC1NM3477

PubChem

68968

ChemSpider

9633.0

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

OCTANOYL FLUORIDE

Structure

Physicochemical Descriptors

Cross References