3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene

C8H10ClF3 — CID 162578105

IUPAC3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene
SMILESCC1CC(C(F)(F)F)C=CC1Cl
InChIInChI=1S/C8H10ClF3/c1-5-4-6(8(10,11)12)2-3-7(5)9/h2-3,5-7H,4H2,1H3
InChIKeyLOTZCXWWUBTIKB-UHFFFAOYSA-N
MW198.62 g/mol
LogP3.37
Rot. Bonds

About 3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene

3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene (PubChem CID 162578105) has the molecular formula C8H10ClF3 and a molecular weight of 198.62 g/mol. Its IUPAC name is 3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene
PubChem CID162578105
Molecular FormulaC8H10ClF3
Molecular Weight198.62 g/mol
Exact Mass198.04
IUPAC Name3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene
SMILESCC1CC(C(F)(F)F)C=CC1Cl
InChIInChI=1S/C8H10ClF3/c1-5-4-6(8(10,11)12)2-3-7(5)9/h2-3,5-7H,4H2,1H3
InChIKeyLOTZCXWWUBTIKB-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.62
LogP ≤ 53.37
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-(Chloromethyl)cyclohexene
CID 556956
1-Chloro-2-(cyclohex-3-enyl)ethane
CID 12480857
3-(2-Chloroethyl)cyclohexene
CID 13866449
4-Chloro-3-methyl-4,5,5-trifluorocyclohexene
CID 19593685
5-Chloro-6-ethyl-1-fluorocyclohexa-1,3-diene
CID 20777183
1-Chloro-4-trifluoromethylcyclohex-1-ene
CID 22158883
(3S,6S)-3-chloro-1-fluoro-6-propan-2-ylcyclohexene
CID 59606730
6-Chloro-2-fluoro-5-propylcyclohexa-1,3-diene
CID 66612589
3-Chloro-5-(trifluoromethyl)octa-1,7-diene
CID 87320331
1-Chloro-5-ethyl-3-fluorocyclohexene
CID 89017361
6-Chloro-1-fluoro-3-methylcyclohexene
CID 89143029
(Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene
CID 89198944

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene?
The IUPAC name of 3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene (CID 162578105) is 3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene?
The canonical SMILES for 3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene is CC1CC(C(F)(F)F)C=CC1Cl.
What is the InChIKey of 3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene?
The InChIKey is LOTZCXWWUBTIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3/c1-5-4-6(8(10,11)12)2-3-7(5)9/h2-3,5-7H,4H2,1H3.
What are the key properties of 3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene?
3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene has a molecular weight of 198.62 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-6-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 162578105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).