EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	255P4FQ8SA
EPA CompTox	DTXSID3059923

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

255P4FQ8SA

EPA CompTox

DTXSID3059923


InChI Key	MSXVQELLSMPBFD-UHFFFAOYSA-N
Smiles	C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI	InChI=1S/C9H4F16O/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-26/h2,26H,1H2

InChI Key

MSXVQELLSMPBFD-UHFFFAOYSA-N

Smiles

C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C9H4F16O/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-26/h2,26H,1H2

Property Name	Value
Molecular Formula	C9H4F16O1
Molecular Weight	432.0
AlogP	4.69
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	20.23
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C9H4F16O1

Molecular Weight

432.0

AlogP

4.69

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

8.0

Polar Surface Area

20.23

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	376-18-1
NORMAN SUSDAT
FDA SRS	255P4FQ8SA
PubChem	9779
ChemSpider	9396.0

Resources

Reference

CAS NUMBER

376-18-1

NORMAN SUSDAT

FDA SRS

255P4FQ8SA

PubChem

9779

ChemSpider

9396.0

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

1H,1H,9H-HEXADECAFLUORO-1-NONANOL

Structure

Physicochemical Descriptors

Cross References