1-chloro-2-(trifluoromethyl)cyclohexene

C7H8ClF3 — CID 162785189

IUPAC1-chloro-2-(trifluoromethyl)cyclohexene
SMILESFC(F)(F)C1=C(Cl)CCCC1
InChIInChI=1S/C7H8ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H2
InChIKeyWPDIPOQMVLYWRG-UHFFFAOYSA-N
MW184.59 g/mol
LogP3.62
Rot. Bonds

About 1-chloro-2-(trifluoromethyl)cyclohexene

1-chloro-2-(trifluoromethyl)cyclohexene (PubChem CID 162785189) has the molecular formula C7H8ClF3 and a molecular weight of 184.59 g/mol. Its IUPAC name is 1-chloro-2-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name1-chloro-2-(trifluoromethyl)cyclohexene
PubChem CID162785189
Molecular FormulaC7H8ClF3
Molecular Weight184.59 g/mol
Exact Mass184.03
IUPAC Name1-chloro-2-(trifluoromethyl)cyclohexene
SMILESFC(F)(F)C1=C(Cl)CCCC1
InChIInChI=1S/C7H8ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H2
InChIKeyWPDIPOQMVLYWRG-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Dichlorofluoro-methylpentafluorobenzene
CID 129738499
5-Chloro-1-methyl-4,4,5-trifluorocyclohexene
CID 10867025
4-Chloro-1-methyl-4,5,5-trifluorocyclohexene
CID 10932120
5-Chloro-1,2-dimethyl-4,4,5-trifluorocyclohexene
CID 19593683
3-Chloro-1-fluoro-2-methylcyclohexene
CID 134534579
1-Chloro-2-(trifluoromethyl)cyclopentene
CID 162785187
1-Chloro-2-(2-fluoroethyl)cyclohexene
CID 162785188
1-Chloro-2-(2-fluoroethyl)cyclopentene
CID 162785190
1-Chloro-2-(fluoromethyl)cyclohexene
CID 166984241
3-Chloro-2-fluoro-1-methylcyclohexene
CID 167190783
5-Chloro-1-(difluoromethyl)cyclohexene
CID 175546372
5-Chloro-1,3,3,4,4,6,6-heptafluoro-2-(trifluoromethyl)cyclohex-1-ene
CID 13115955

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(trifluoromethyl)cyclohexene?
The IUPAC name of 1-chloro-2-(trifluoromethyl)cyclohexene (CID 162785189) is 1-chloro-2-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 1-chloro-2-(trifluoromethyl)cyclohexene?
The canonical SMILES for 1-chloro-2-(trifluoromethyl)cyclohexene is FC(F)(F)C1=C(Cl)CCCC1.
What is the InChIKey of 1-chloro-2-(trifluoromethyl)cyclohexene?
The InChIKey is WPDIPOQMVLYWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H2.
What are the key properties of 1-chloro-2-(trifluoromethyl)cyclohexene?
1-chloro-2-(trifluoromethyl)cyclohexene has a molecular weight of 184.59 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 162785189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).