EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Q8TG27S5YB
EPA CompTox	DTXSID7074616

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Q8TG27S5YB

EPA CompTox

DTXSID7074616


InChI Key	NKAMGQZDVMQEJL-UHFFFAOYSA-N
Smiles	C(C(C(F)(F)C(F)(F)C(F)(C(F)(F)C(C(F)(F)C(F)(F)F)(F)F)F)(F)F)=C
InChI	InChI=1S/C10H3F17/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2

InChI Key

NKAMGQZDVMQEJL-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1S/C10H3F17/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2

Property Name	Value
Molecular Formula	C10H3F17
Molecular Weight	446.0
AlogP	6.18
Number of Rotational Bond	7.0
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C10H3F17

Molecular Weight

446.0

AlogP

6.18

Number of Rotational Bond

7.0

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	21652-58-4
NORMAN SUSDAT
FDA SRS	Q8TG27S5YB
PubChem	88990
ChemSpider	80299.0

Resources

Reference

CAS NUMBER

21652-58-4

NORMAN SUSDAT

FDA SRS

Q8TG27S5YB

PubChem

88990

ChemSpider

80299.0

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,2H-PERFLUORO-1-DECENE

Structure

Physicochemical Descriptors

Cross References