6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol

C7H7ClF6O — CID 22212414

IUPAC6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1C(Cl)CC(F)(C(F)(F)F)C(F)C1F
InChIInChI=1S/C7H7ClF6O/c8-2-1-6(11,7(12,13)14)5(10)3(9)4(2)15/h2-5,15H,1H2
InChIKeyWVBOXHWTBHTUQC-UHFFFAOYSA-N
MW256.57 g/mol
LogP2.31
Rot. Bonds

About 6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol

6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 22212414) has the molecular formula C7H7ClF6O and a molecular weight of 256.57 g/mol. Its IUPAC name is 6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID22212414
Molecular FormulaC7H7ClF6O
Molecular Weight256.57 g/mol
Exact Mass256.01
IUPAC Name6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1C(Cl)CC(F)(C(F)(F)F)C(F)C1F
InChIInChI=1S/C7H7ClF6O/c8-2-1-6(11,7(12,13)14)5(10)3(9)4(2)15/h2-5,15H,1H2
InChIKeyWVBOXHWTBHTUQC-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.57
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol 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 6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol (CID 22212414) is 6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol is OC1C(Cl)CC(F)(C(F)(F)F)C(F)C1F.
What is the InChIKey of 6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is WVBOXHWTBHTUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF6O/c8-2-1-6(11,7(12,13)14)5(10)3(9)4(2)15/h2-5,15H,1H2.
What are the key properties of 6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol?
6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 256.57 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3,4-trifluoro-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 22212414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).