4-chloro-1-fluorocyclohexene

C6H8ClF — CID 23443589

IUPAC4-chloro-1-fluorocyclohexene
SMILESFC1=CCC(Cl)CC1
InChIInChI=1S/C6H8ClF/c7-5-1-3-6(8)4-2-5/h3,5H,1-2,4H2
InChIKeyLQEFWPKEDNJDHF-UHFFFAOYSA-N
MW134.58 g/mol
LogP2.63
Rot. Bonds

About 4-chloro-1-fluorocyclohexene

4-chloro-1-fluorocyclohexene (PubChem CID 23443589) has the molecular formula C6H8ClF and a molecular weight of 134.58 g/mol. Its IUPAC name is 4-chloro-1-fluorocyclohexene.

Molecular Properties

Compound Name4-chloro-1-fluorocyclohexene
PubChem CID23443589
Molecular FormulaC6H8ClF
Molecular Weight134.58 g/mol
Exact Mass134.03
IUPAC Name4-chloro-1-fluorocyclohexene
SMILESFC1=CCC(Cl)CC1
InChIInChI=1S/C6H8ClF/c7-5-1-3-6(8)4-2-5/h3,5H,1-2,4H2
InChIKeyLQEFWPKEDNJDHF-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

Computed Properties (RDKit)

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

Analyze 4-chloro-1-fluorocyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Chlorocyclohexene
CID 13593
4-Chlorocyclohexene
CID 13592
3-Chlorocyclohexene
CID 17120
1,6-Dichlorocyclohexene
CID 12211415
1,3-Dichlorocyclohexene
CID 20523448
Cyclohexene, 1-(chloromethyl)-
CID 11974168
7-Chloro-1,1,1-trifluorohept-2-ene
CID 77114659
7-Chloro-1-fluorocycloheptene
CID 132604534
Cyclohexene, 4,5-dichloro-
CID 11217345
3,4-Dichlorocyclohexene
CID 13168758
(4R,5R)-4,5-Dichlorocyclohex-1-ene
CID 71346716
5-Chloro-1-fluorocyclopentene
CID 85995500

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-fluorocyclohexene?
The IUPAC name of 4-chloro-1-fluorocyclohexene (CID 23443589) is 4-chloro-1-fluorocyclohexene.
What is the SMILES notation for 4-chloro-1-fluorocyclohexene?
The canonical SMILES for 4-chloro-1-fluorocyclohexene is FC1=CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-fluorocyclohexene?
The InChIKey is LQEFWPKEDNJDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF/c7-5-1-3-6(8)4-2-5/h3,5H,1-2,4H2.
What are the key properties of 4-chloro-1-fluorocyclohexene?
4-chloro-1-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 4-chloro-1-fluorocyclohexene is sourced from PubChem (CID 23443589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).