1-chloro-2-(fluoromethyl)cyclohexene

C7H10ClF — CID 166984241

IUPAC1-chloro-2-(fluoromethyl)cyclohexene
SMILESFCC1=C(Cl)CCCC1
InChIInChI=1S/C7H10ClF/c8-7-4-2-1-3-6(7)5-9/h1-5H2
InChIKeyOAWGTZQFPOFXJH-UHFFFAOYSA-N
MW148.61 g/mol
LogP3.02
Rot. Bonds1

About 1-chloro-2-(fluoromethyl)cyclohexene

1-chloro-2-(fluoromethyl)cyclohexene (PubChem CID 166984241) has the molecular formula C7H10ClF and a molecular weight of 148.61 g/mol. Its IUPAC name is 1-chloro-2-(fluoromethyl)cyclohexene.

Molecular Properties

Compound Name1-chloro-2-(fluoromethyl)cyclohexene
PubChem CID166984241
Molecular FormulaC7H10ClF
Molecular Weight148.61 g/mol
Exact Mass148.05
IUPAC Name1-chloro-2-(fluoromethyl)cyclohexene
SMILESFCC1=C(Cl)CCCC1
InChIInChI=1S/C7H10ClF/c8-7-4-2-1-3-6(7)5-9/h1-5H2
InChIKeyOAWGTZQFPOFXJH-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.61
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(fluoromethyl)cyclohexene?
The IUPAC name of 1-chloro-2-(fluoromethyl)cyclohexene (CID 166984241) is 1-chloro-2-(fluoromethyl)cyclohexene.
What is the SMILES notation for 1-chloro-2-(fluoromethyl)cyclohexene?
The canonical SMILES for 1-chloro-2-(fluoromethyl)cyclohexene is FCC1=C(Cl)CCCC1.
What is the InChIKey of 1-chloro-2-(fluoromethyl)cyclohexene?
The InChIKey is OAWGTZQFPOFXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF/c8-7-4-2-1-3-6(7)5-9/h1-5H2.
What are the key properties of 1-chloro-2-(fluoromethyl)cyclohexene?
1-chloro-2-(fluoromethyl)cyclohexene has a molecular weight of 148.61 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(fluoromethyl)cyclohexene is sourced from PubChem (CID 166984241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).