4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene

C8H10ClF3 — CID 19593683

IUPAC4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene
SMILESCC1=C(C)CC(F)(Cl)C(F)(F)C1
InChIInChI=1S/C8H10ClF3/c1-5-3-7(9,10)8(11,12)4-6(5)2/h3-4H2,1-2H3
InChIKeyHBEROXBDOXJBLM-UHFFFAOYSA-N
MW198.61 g/mol
LogP3.66
Rot. Bonds

About 4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene

4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene (PubChem CID 19593683) has the molecular formula C8H10ClF3 and a molecular weight of 198.61 g/mol. Its IUPAC name is 4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene.

Molecular Properties

Compound Name4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene
PubChem CID19593683
Molecular FormulaC8H10ClF3
Molecular Weight198.61 g/mol
Exact Mass198.04
IUPAC Name4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene
SMILESCC1=C(C)CC(F)(Cl)C(F)(F)C1
InChIInChI=1S/C8H10ClF3/c1-5-3-7(9,10)8(11,12)4-6(5)2/h3-4H2,1-2H3
InChIKeyHBEROXBDOXJBLM-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 53.66
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

5-Chloro-1-methyl-4,4,5-trifluorocyclohexene
CID 10867025
4-Chloro-1-methyl-4,5,5-trifluorocyclohexene
CID 10932120
4,4-Difluoro-1,2-dimethylcyclohexene
CID 89117651
1-(Chloromethyl)-3,3,4,4,5,5,6,6-octafluoro-2-methylcyclohexene
CID 154202627
1-Chloro-2-(2-fluoroethyl)cyclohexene
CID 162785188
1-Chloro-2-(trifluoromethyl)cyclohexene
CID 162785189
1-Chloro-2-(fluoromethyl)cyclohexene
CID 166984241
3,3-Difluoro-1,2-dimethylcyclohexene
CID 171768146
(Z)-2-chloro-1,1,1-trifluoro-3-methylnon-2-ene
CID 10933249
1-Chloro-3,3-difluoro-2-hexylcyclopropene
CID 101056234
1-Methyl-2-(3,3,3-trifluoropropyl)cyclohexene
CID 143606046
1-Methyl-2-(trifluoromethyl)cyclohexene
CID 153687307

Frequently Asked Questions

What is the IUPAC name of 4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene?
The IUPAC name of 4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene (CID 19593683) is 4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene.
What is the SMILES notation for 4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene?
The canonical SMILES for 4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene is CC1=C(C)CC(F)(Cl)C(F)(F)C1.
What is the InChIKey of 4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene?
The InChIKey is HBEROXBDOXJBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3/c1-5-3-7(9,10)8(11,12)4-6(5)2/h3-4H2,1-2H3.
What are the key properties of 4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene?
4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene has a molecular weight of 198.61 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-4,5,5-trifluoro-1,2-dimethylcyclohexene is sourced from PubChem (CID 19593683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).