2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane

C10H18ClF — CID 20541616

IUPAC2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C)(F)C(Cl)C1
InChIInChI=1S/C10H18ClF/c1-7(2)8-4-5-10(3,12)9(11)6-8/h7-9H,4-6H2,1-3H3
InChIKeyJFTTWMPKEWWWJX-UHFFFAOYSA-N
MW192.70 g/mol
LogP3.78
Rot. Bonds1

About 2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane

2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane (PubChem CID 20541616) has the molecular formula C10H18ClF and a molecular weight of 192.70 g/mol. Its IUPAC name is 2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane
PubChem CID20541616
Molecular FormulaC10H18ClF
Molecular Weight192.70 g/mol
Exact Mass192.11
IUPAC Name2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C)(F)C(Cl)C1
InChIInChI=1S/C10H18ClF/c1-7(2)8-4-5-10(3,12)9(11)6-8/h7-9H,4-6H2,1-3H3
InChIKeyJFTTWMPKEWWWJX-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.70
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane 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 2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane?
The IUPAC name of 2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane (CID 20541616) is 2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for 2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane?
The canonical SMILES for 2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane is CC(C)C1CCC(C)(F)C(Cl)C1.
What is the InChIKey of 2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane?
The InChIKey is JFTTWMPKEWWWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClF/c1-7(2)8-4-5-10(3,12)9(11)6-8/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane?
2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane has a molecular weight of 192.70 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-1-methyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 20541616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).