1-chloro-5-fluorocyclohexene

C6H8ClF — CID 89166213

IUPAC1-chloro-5-fluorocyclohexene
SMILESFC1CCC=C(Cl)C1
InChIInChI=1S/C6H8ClF/c7-5-2-1-3-6(8)4-5/h2,6H,1,3-4H2
InChIKeySTXKCZNAOBZQIP-UHFFFAOYSA-N
MW134.58 g/mol
LogP2.63
Rot. Bonds

About 1-chloro-5-fluorocyclohexene

1-chloro-5-fluorocyclohexene (PubChem CID 89166213) has the molecular formula C6H8ClF and a molecular weight of 134.58 g/mol. Its IUPAC name is 1-chloro-5-fluorocyclohexene.

Molecular Properties

Compound Name1-chloro-5-fluorocyclohexene
PubChem CID89166213
Molecular FormulaC6H8ClF
Molecular Weight134.58 g/mol
Exact Mass134.03
IUPAC Name1-chloro-5-fluorocyclohexene
SMILESFC1CCC=C(Cl)C1
InChIInChI=1S/C6H8ClF/c7-5-2-1-3-6(8)4-5/h2,6H,1,3-4H2
InChIKeySTXKCZNAOBZQIP-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.58
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-fluorocyclohexene?
The IUPAC name of 1-chloro-5-fluorocyclohexene (CID 89166213) is 1-chloro-5-fluorocyclohexene.
What is the SMILES notation for 1-chloro-5-fluorocyclohexene?
The canonical SMILES for 1-chloro-5-fluorocyclohexene is FC1CCC=C(Cl)C1.
What is the InChIKey of 1-chloro-5-fluorocyclohexene?
The InChIKey is STXKCZNAOBZQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF/c7-5-2-1-3-6(8)4-5/h2,6H,1,3-4H2.
What are the key properties of 1-chloro-5-fluorocyclohexene?
1-chloro-5-fluorocyclohexene has a molecular weight of 134.58 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-fluorocyclohexene is sourced from PubChem (CID 89166213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).