5-chloro-4,4,5-trifluoro-1-methylcyclohexene

C7H8ClF3 — CID 10867025

IUPAC5-chloro-4,4,5-trifluoro-1-methylcyclohexene
SMILESCC1=CCC(F)(F)C(F)(Cl)C1
InChIInChI=1S/C7H8ClF3/c1-5-2-3-7(10,11)6(8,9)4-5/h2H,3-4H2,1H3
InChIKeyQOVKZMZPXOFFKK-UHFFFAOYSA-N
MW184.59 g/mol
LogP3.27
Rot. Bonds

About 5-chloro-4,4,5-trifluoro-1-methylcyclohexene

5-chloro-4,4,5-trifluoro-1-methylcyclohexene (PubChem CID 10867025) has the molecular formula C7H8ClF3 and a molecular weight of 184.59 g/mol. Its IUPAC name is 5-chloro-4,4,5-trifluoro-1-methylcyclohexene.

Molecular Properties

Compound Name5-chloro-4,4,5-trifluoro-1-methylcyclohexene
PubChem CID10867025
Molecular FormulaC7H8ClF3
Molecular Weight184.59 g/mol
Exact Mass184.03
IUPAC Name5-chloro-4,4,5-trifluoro-1-methylcyclohexene
SMILESCC1=CCC(F)(F)C(F)(Cl)C1
InChIInChI=1S/C7H8ClF3/c1-5-2-3-7(10,11)6(8,9)4-5/h2H,3-4H2,1H3
InChIKeyQOVKZMZPXOFFKK-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-1-methyl-4,5,5-trifluorocyclohexene
CID 10932120
5-Chloro-1,2-dimethyl-4,4,5-trifluorocyclohexene
CID 19593683
6-Chloro-1-ethyl-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 89053817
6-Chloro-4-fluoro-1-methylcyclohexene
CID 89093890
4,4-Difluoro-1-methylcyclohexene
CID 122600491
5-Chloro-4-fluoro-1-methylcyclohexene
CID 124035670
(4S)-1-(chloromethyl)-4-fluorocyclohexene
CID 132196573
1-Chloro-2-(difluoromethyl)-4-methylcyclohexa-1,3-diene
CID 134441868
1-Chloro-2,3-difluoro-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 142370460
4-Chloro-1-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 142966782
3,3-Difluoro-1-methylcyclohexene
CID 148854064
1-Chloro-2-(trifluoromethyl)cyclohexene
CID 162785189

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,4,5-trifluoro-1-methylcyclohexene?
The IUPAC name of 5-chloro-4,4,5-trifluoro-1-methylcyclohexene (CID 10867025) is 5-chloro-4,4,5-trifluoro-1-methylcyclohexene.
What is the SMILES notation for 5-chloro-4,4,5-trifluoro-1-methylcyclohexene?
The canonical SMILES for 5-chloro-4,4,5-trifluoro-1-methylcyclohexene is CC1=CCC(F)(F)C(F)(Cl)C1.
What is the InChIKey of 5-chloro-4,4,5-trifluoro-1-methylcyclohexene?
The InChIKey is QOVKZMZPXOFFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3/c1-5-2-3-7(10,11)6(8,9)4-5/h2H,3-4H2,1H3.
What are the key properties of 5-chloro-4,4,5-trifluoro-1-methylcyclohexene?
5-chloro-4,4,5-trifluoro-1-methylcyclohexene has a molecular weight of 184.59 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,4,5-trifluoro-1-methylcyclohexene is sourced from PubChem (CID 10867025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).