EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	MSL8VN7XHA
EPA CompTox	DTXSID60871632

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

MSL8VN7XHA

EPA CompTox

DTXSID60871632


InChI Key	FYJQJMIEZVMYSD-UHFFFAOYSA-N
Smiles	O1C(C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)(C(C(C1(F)F)(F)F)(F)F)F
InChI	InChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6

InChI Key

FYJQJMIEZVMYSD-UHFFFAOYSA-N

Smiles

O1C(C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)(C(C(C1(F)F)(F)F)(F)F)F

InChI

InChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6

Property Name	Value
Molecular Formula	C8F16O1
Molecular Weight	415.97
AlogP	5.01
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	9.23
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C8F16O1

Molecular Weight

415.97

AlogP

5.01

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

9.23

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	335-36-4
NORMAN SUSDAT
FDA SRS	MSL8VN7XHA
PubChem	78976
ChemSpider	71309.0

Resources

Reference

CAS NUMBER

335-36-4

NORMAN SUSDAT

FDA SRS

MSL8VN7XHA

PubChem

78976

ChemSpider

71309.0

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

PERFLUORO-2-BUTYLTETRAHYDROFURAN

Structure

Physicochemical Descriptors

Cross References