1-chloro-6-ethenyl-4-fluorocyclohexene

C8H10ClF — CID 174313101

IUPAC1-chloro-6-ethenyl-4-fluorocyclohexene
SMILESC=CC1CC(F)CC=C1Cl
InChIInChI=1S/C8H10ClF/c1-2-6-5-7(10)3-4-8(6)9/h2,4,6-7H,1,3,5H2
InChIKeyOFRNIKXUTXOSBT-UHFFFAOYSA-N
MW160.62 g/mol
LogP3.04
Rot. Bonds1

About 1-chloro-6-ethenyl-4-fluorocyclohexene

1-chloro-6-ethenyl-4-fluorocyclohexene (PubChem CID 174313101) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is 1-chloro-6-ethenyl-4-fluorocyclohexene.

Molecular Properties

Compound Name1-chloro-6-ethenyl-4-fluorocyclohexene
PubChem CID174313101
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name1-chloro-6-ethenyl-4-fluorocyclohexene
SMILESC=CC1CC(F)CC=C1Cl
InChIInChI=1S/C8H10ClF/c1-2-6-5-7(10)3-4-8(6)9/h2,4,6-7H,1,3,5H2
InChIKeyOFRNIKXUTXOSBT-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.62
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-ethenyl-4-fluorocyclohexene?
The IUPAC name of 1-chloro-6-ethenyl-4-fluorocyclohexene (CID 174313101) is 1-chloro-6-ethenyl-4-fluorocyclohexene.
What is the SMILES notation for 1-chloro-6-ethenyl-4-fluorocyclohexene?
The canonical SMILES for 1-chloro-6-ethenyl-4-fluorocyclohexene is C=CC1CC(F)CC=C1Cl.
What is the InChIKey of 1-chloro-6-ethenyl-4-fluorocyclohexene?
The InChIKey is OFRNIKXUTXOSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF/c1-2-6-5-7(10)3-4-8(6)9/h2,4,6-7H,1,3,5H2.
What are the key properties of 1-chloro-6-ethenyl-4-fluorocyclohexene?
1-chloro-6-ethenyl-4-fluorocyclohexene has a molecular weight of 160.62 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-ethenyl-4-fluorocyclohexene is sourced from PubChem (CID 174313101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).