EcoDrugPlus


Synonyms	Oxycyte Perfluoro t-butylcyclohexane Perfluoro tert-butylcyclohexane
Status
Molecule Category	Free-form
UNII	3ZX1Z33VUU
EPA CompTox	DTXSID70233868

Synonyms

Oxycyte

Perfluoro t-butylcyclohexane

Perfluoro tert-butylcyclohexane

Status

Molecule Category

Free-form

UNII

3ZX1Z33VUU

EPA CompTox

DTXSID70233868


InChI Key	VLTXBOGHSBHSAC-UHFFFAOYSA-N
Smiles	FC(F)(F)C(C(F)(F)F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChI	InChI=1S/C10F20/c11-2(1(8(22,23)24,9(25,26)27)10(28,29)30)3(12,13)5(16,17)7(20,21)6(18,19)4(2,14)15

InChI Key

VLTXBOGHSBHSAC-UHFFFAOYSA-N

Smiles

FC(F)(F)C(C(F)(F)F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F

InChI

InChI=1S/C10F20/c11-2(1(8(22,23)24,9(25,26)27)10(28,29)30)3(12,13)5(16,17)7(20,21)6(18,19)4(2,14)15

Property Name	Value
Molecular Formula	C10F20
Molecular Weight	500.07
AlogP	6.56
Number of Rotational Bond	1.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C10F20

Molecular Weight

500.07

AlogP

6.56

Number of Rotational Bond

1.0

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	84808-64-0
ChEMBL	CHEMBL4297413
DrugBank	DB12477
FDA SRS	3ZX1Z33VUU
PubChem	15710945
SureChEMBL	SCHEMBL632514
ZINC	ZINC000059270596

Resources

Reference

CAS NUMBER

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

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, 23^rd March 2026

PERFLUORO TERT-BUTYLCYCLOHEXANE

Structure

Physicochemical Descriptors

Cross References