5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane

C10H16ClF — CID 167228656

IUPAC5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane
SMILESCC1(C2CC2)CC(Cl)CCC1F
InChIInChI=1S/C10H16ClF/c1-10(7-2-3-7)6-8(11)4-5-9(10)12/h7-9H,2-6H2,1H3
InChIKeyXCBILVJFFCSJCO-UHFFFAOYSA-N
MW190.69 g/mol
LogP3.53
Rot. Bonds1

About 5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane

5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane (PubChem CID 167228656) has the molecular formula C10H16ClF and a molecular weight of 190.69 g/mol. Its IUPAC name is 5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane.

Molecular Properties

Compound Name5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane
PubChem CID167228656
Molecular FormulaC10H16ClF
Molecular Weight190.69 g/mol
Exact Mass190.09
IUPAC Name5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane
SMILESCC1(C2CC2)CC(Cl)CCC1F
InChIInChI=1S/C10H16ClF/c1-10(7-2-3-7)6-8(11)4-5-9(10)12/h7-9H,2-6H2,1H3
InChIKeyXCBILVJFFCSJCO-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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 5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane?
The IUPAC name of 5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane (CID 167228656) is 5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane.
What is the SMILES notation for 5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane?
The canonical SMILES for 5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane is CC1(C2CC2)CC(Cl)CCC1F.
What is the InChIKey of 5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane?
The InChIKey is XCBILVJFFCSJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF/c1-10(7-2-3-7)6-8(11)4-5-9(10)12/h7-9H,2-6H2,1H3.
What are the key properties of 5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane?
5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane has a molecular weight of 190.69 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cyclopropyl-2-fluoro-1-methylcyclohexane is sourced from PubChem (CID 167228656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).