5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene

C10H16ClF — CID 146207770

IUPAC5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene
SMILESCC(C)C1=CC(C)C(F)C(Cl)C1
InChIInChI=1S/C10H16ClF/c1-6(2)8-4-7(3)10(12)9(11)5-8/h4,6-7,9-10H,5H2,1-3H3
InChIKeyWIYYJGUMIVAUIG-UHFFFAOYSA-N
MW190.69 g/mol
LogP3.55
Rot. Bonds1

About 5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene

5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene (PubChem CID 146207770) has the molecular formula C10H16ClF and a molecular weight of 190.69 g/mol. Its IUPAC name is 5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene.

Molecular Properties

Compound Name5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene
PubChem CID146207770
Molecular FormulaC10H16ClF
Molecular Weight190.69 g/mol
Exact Mass190.09
IUPAC Name5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene
SMILESCC(C)C1=CC(C)C(F)C(Cl)C1
InChIInChI=1S/C10H16ClF/c1-6(2)8-4-7(3)10(12)9(11)5-8/h4,6-7,9-10H,5H2,1-3H3
InChIKeyWIYYJGUMIVAUIG-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.69
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene 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 5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene?
The IUPAC name of 5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene (CID 146207770) is 5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene.
What is the SMILES notation for 5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene?
The canonical SMILES for 5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene is CC(C)C1=CC(C)C(F)C(Cl)C1.
What is the InChIKey of 5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene?
The InChIKey is WIYYJGUMIVAUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF/c1-6(2)8-4-7(3)10(12)9(11)5-8/h4,6-7,9-10H,5H2,1-3H3.
What are the key properties of 5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene?
5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene has a molecular weight of 190.69 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene is sourced from PubChem (CID 146207770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).