EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	R4P6L83YFZ
EPA CompTox	DTXSID70154988

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

R4P6L83YFZ

EPA CompTox

DTXSID70154988


InChI Key	FQLSDFNKTNBQLC-UHFFFAOYSA-N
Smiles	FC=1C(F)=C(F)C(=C(F)C1F)P(C=2C(F)=C(F)C(F)=C(F)C2F)C=3C(F)=C(F)C(F)=C(F)C3F
InChI	InChI=1/C18F15P/c19-1-4(22)10(28)16(11(29)5(1)23)34(17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33

InChI Key

FQLSDFNKTNBQLC-UHFFFAOYSA-N

Smiles

FC=1C(F)=C(F)C(=C(F)C1F)P(C=2C(F)=C(F)C(F)=C(F)C2F)C=3C(F)=C(F)C(F)=C(F)C3F

InChI

InChI=1/C18F15P/c19-1-4(22)10(28)16(11(29)5(1)23)34(17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33

Property Name	Value
Molecular Formula	C18F15P
Molecular Weight	531.95
AlogP	5.53
Number of Rotational Bond	3.0
Heavy Atoms	34.0

Property Name

Value

Molecular Formula

C18F15P

Molecular Weight

531.95

AlogP

5.53

Number of Rotational Bond

3.0

Heavy Atoms

34.0

Resources	Reference
CAS NUMBER	1259-35-4
NORMAN SUSDAT
FDA SRS	R4P6L83YFZ
PubChem	102076

Resources

Reference

CAS NUMBER

1259-35-4

NORMAN SUSDAT

FDA SRS

R4P6L83YFZ

PubChem

102076

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

TRIS(PENTAFLUOROPHENYL)PHOSPHINE

Structure

Physicochemical Descriptors

Cross References