1,3-bis(trifluoromethyl)cyclohexane

C8H10F6 — CID 12579042

IUPAC1,3-bis(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H10F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h5-6H,1-4H2
InChIKeyXIJLJFDFDZSWDG-UHFFFAOYSA-N
MW220.16 g/mol
LogP3.92
Rot. Bonds

About 1,3-bis(trifluoromethyl)cyclohexane

1,3-bis(trifluoromethyl)cyclohexane (PubChem CID 12579042) has the molecular formula C8H10F6 and a molecular weight of 220.16 g/mol. Its IUPAC name is 1,3-bis(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1,3-bis(trifluoromethyl)cyclohexane
PubChem CID12579042
Molecular FormulaC8H10F6
Molecular Weight220.16 g/mol
Exact Mass220.07
IUPAC Name1,3-bis(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H10F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h5-6H,1-4H2
InChIKeyXIJLJFDFDZSWDG-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-bis(trifluoromethyl)cyclohexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trifluoromethyl)cyclohexane?
The IUPAC name of 1,3-bis(trifluoromethyl)cyclohexane (CID 12579042) is 1,3-bis(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1,3-bis(trifluoromethyl)cyclohexane?
The canonical SMILES for 1,3-bis(trifluoromethyl)cyclohexane is FC(F)(F)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1,3-bis(trifluoromethyl)cyclohexane?
The InChIKey is XIJLJFDFDZSWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h5-6H,1-4H2.
What are the key properties of 1,3-bis(trifluoromethyl)cyclohexane?
1,3-bis(trifluoromethyl)cyclohexane has a molecular weight of 220.16 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trifluoromethyl)cyclohexane is sourced from PubChem (CID 12579042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).