1-chloro-2-(2-fluoroethyl)cyclohexene

C8H12ClF — CID 162785188

IUPAC1-chloro-2-(2-fluoroethyl)cyclohexene
SMILESFCCC1=C(Cl)CCCC1
InChIInChI=1S/C8H12ClF/c9-8-4-2-1-3-7(8)5-6-10/h1-6H2
InChIKeyJRVNVFHVNVVSBF-UHFFFAOYSA-N
MW162.63 g/mol
LogP3.41
Rot. Bonds2

About 1-chloro-2-(2-fluoroethyl)cyclohexene

1-chloro-2-(2-fluoroethyl)cyclohexene (PubChem CID 162785188) has the molecular formula C8H12ClF and a molecular weight of 162.63 g/mol. Its IUPAC name is 1-chloro-2-(2-fluoroethyl)cyclohexene.

Molecular Properties

Compound Name1-chloro-2-(2-fluoroethyl)cyclohexene
PubChem CID162785188
Molecular FormulaC8H12ClF
Molecular Weight162.63 g/mol
Exact Mass162.06
IUPAC Name1-chloro-2-(2-fluoroethyl)cyclohexene
SMILESFCCC1=C(Cl)CCCC1
InChIInChI=1S/C8H12ClF/c9-8-4-2-1-3-7(8)5-6-10/h1-6H2
InChIKeyJRVNVFHVNVVSBF-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.63
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-fluoroethyl)cyclohexene?
The IUPAC name of 1-chloro-2-(2-fluoroethyl)cyclohexene (CID 162785188) is 1-chloro-2-(2-fluoroethyl)cyclohexene.
What is the SMILES notation for 1-chloro-2-(2-fluoroethyl)cyclohexene?
The canonical SMILES for 1-chloro-2-(2-fluoroethyl)cyclohexene is FCCC1=C(Cl)CCCC1.
What is the InChIKey of 1-chloro-2-(2-fluoroethyl)cyclohexene?
The InChIKey is JRVNVFHVNVVSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF/c9-8-4-2-1-3-7(8)5-6-10/h1-6H2.
What are the key properties of 1-chloro-2-(2-fluoroethyl)cyclohexene?
1-chloro-2-(2-fluoroethyl)cyclohexene has a molecular weight of 162.63 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-fluoroethyl)cyclohexene is sourced from PubChem (CID 162785188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).