EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Q79V8EW37T
EPA CompTox	DTXSID00173980

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Q79V8EW37T

EPA CompTox

DTXSID00173980


InChI Key	KNDYEMGWGHDSDW-UHFFFAOYSA-M
Smiles	F[Sn](CCCCC)(CCCCC)CCCCC
InChI	InChI=1/3C5H11.FH.Sn/c31-3-5-4-2;;/h31,3-5H2,2H3;1H;/q;;;;+1/p-1/rC15H33FSn/c1-4-7-10-13-17(16,14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3

InChI Key

KNDYEMGWGHDSDW-UHFFFAOYSA-M

Smiles

F[Sn](CCCCC)(CCCCC)CCCCC

InChI

InChI=1/3C5H11.FH.Sn/c3*1-3-5-4-2;;/h3*1,3-5H2,2H3;1H;/q;;;;+1/p-1/rC15H33FSn/c1-4-7-10-13-17(16,14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3

Property Name	Value
Molecular Formula	C15H33FSn
Molecular Weight	352.16
AlogP	6.47
Number of Rotational Bond	12.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C15H33FSn

Molecular Weight

352.16

AlogP

6.47

Number of Rotational Bond

12.0

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	20153-49-5
NORMAN SUSDAT
FDA SRS	Q79V8EW37T
PubChem	88382

Resources

Reference

CAS NUMBER

20153-49-5

NORMAN SUSDAT

FDA SRS

Q79V8EW37T

PubChem

88382

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

FLUOROTRIPENTYLSTANNANE

Structure

Physicochemical Descriptors

Cross References