1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane

C7H2F12 — CID 89333882

IUPAC1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane
SMILESFC(F)(F)C1C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H2F12/c8-3(9)1(5(12,13)14)2(6(15,16)17)4(10,11)7(3,18)19/h1-2H
InChIKeyBGARJCHCXWAZBH-UHFFFAOYSA-N
MW314.07 g/mol
LogP4.26
Rot. Bonds

About 1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane

1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane (PubChem CID 89333882) has the molecular formula C7H2F12 and a molecular weight of 314.07 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane
PubChem CID89333882
Molecular FormulaC7H2F12
Molecular Weight314.07 g/mol
Exact Mass314.00
IUPAC Name1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane
SMILESFC(F)(F)C1C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H2F12/c8-3(9)1(5(12,13)14)2(6(15,16)17)4(10,11)7(3,18)19/h1-2H
InChIKeyBGARJCHCXWAZBH-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.07
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane
CID 98117627
1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 2778426
(4R)-1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 167169999
3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol
CID 150455539
1,4-difluoro-1,2,2,3-tetrakis(trifluoromethyl)cyclobutane
CID 155155925
1,1,2,2,3,3,4,4-octafluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexane
CID 167433154
1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
CID 23233742
2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane
CID 135324593
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene
CID 21225585
2-bromo-1-(trifluoromethyl)spiro[2.2]pentane
CID 139245762
1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 175593131
1,1-difluoro-3-(trifluoromethyl)cyclobutane
CID 149228087

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane (CID 89333882) is 1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane is FC(F)(F)C1C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane?
The InChIKey is BGARJCHCXWAZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F12/c8-3(9)1(5(12,13)14)2(6(15,16)17)4(10,11)7(3,18)19/h1-2H.
What are the key properties of 1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane?
1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane has a molecular weight of 314.07 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane is sourced from PubChem (CID 89333882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).