1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane

C12H19ClF2 — CID 126551700

IUPAC1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane
SMILESFC1CC(C2CCCCC2F)CCC1Cl
InChIInChI=1S/C12H19ClF2/c13-10-6-5-8(7-12(10)15)9-3-1-2-4-11(9)14/h8-12H,1-7H2
InChIKeyCOCJSOBUNBWFLB-UHFFFAOYSA-N
MW236.73 g/mol
LogP4.26
Rot. Bonds1

About 1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane

1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane (PubChem CID 126551700) has the molecular formula C12H19ClF2 and a molecular weight of 236.73 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane
PubChem CID126551700
Molecular FormulaC12H19ClF2
Molecular Weight236.73 g/mol
Exact Mass236.11
IUPAC Name1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane
SMILESFC1CC(C2CCCCC2F)CCC1Cl
InChIInChI=1S/C12H19ClF2/c13-10-6-5-8(7-12(10)15)9-3-1-2-4-11(9)14/h8-12H,1-7H2
InChIKeyCOCJSOBUNBWFLB-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 54.26
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 1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane?
The IUPAC name of 1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane (CID 126551700) is 1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane.
What is the SMILES notation for 1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane?
The canonical SMILES for 1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane is FC1CC(C2CCCCC2F)CCC1Cl.
What is the InChIKey of 1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane?
The InChIKey is COCJSOBUNBWFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClF2/c13-10-6-5-8(7-12(10)15)9-3-1-2-4-11(9)14/h8-12H,1-7H2.
What are the key properties of 1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane?
1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane has a molecular weight of 236.73 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-(2-fluorocyclohexyl)cyclohexane is sourced from PubChem (CID 126551700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).