3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane

C14H24ClF — CID 58163437

IUPAC3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C)C(F)C2Cl)CC1
InChIInChI=1S/C14H24ClF/c1-9-3-6-11(7-4-9)12-8-5-10(2)14(16)13(12)15/h9-14H,3-8H2,1-2H3
InChIKeyYEICWPQMFAMCLG-UHFFFAOYSA-N
MW246.80 g/mol
LogP4.80
Rot. Bonds1

About 3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane

3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 58163437) has the molecular formula C14H24ClF and a molecular weight of 246.80 g/mol. Its IUPAC name is 3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane
PubChem CID58163437
Molecular FormulaC14H24ClF
Molecular Weight246.80 g/mol
Exact Mass246.16
IUPAC Name3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(C)C(F)C2Cl)CC1
InChIInChI=1S/C14H24ClF/c1-9-3-6-11(7-4-9)12-8-5-10(2)14(16)13(12)15/h9-14H,3-8H2,1-2H3
InChIKeyYEICWPQMFAMCLG-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.80
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane (CID 58163437) is 3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane is CC1CCC(C2CCC(C)C(F)C2Cl)CC1.
What is the InChIKey of 3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is YEICWPQMFAMCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClF/c1-9-3-6-11(7-4-9)12-8-5-10(2)14(16)13(12)15/h9-14H,3-8H2,1-2H3.
What are the key properties of 3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane?
3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 246.80 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 58163437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).