1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene

C13H12ClF3 — CID 65177010

IUPAC1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1C1=CC(Cl)CCC1
InChIInChI=1S/C13H12ClF3/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15,16)17/h1-2,6-8,10H,3-5H2
InChIKeyXVUSDARBHZAPQL-UHFFFAOYSA-N
MW260.69 g/mol
LogP4.88
Rot. Bonds1

About 1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene

1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene (PubChem CID 65177010) has the molecular formula C13H12ClF3 and a molecular weight of 260.69 g/mol. Its IUPAC name is 1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene
PubChem CID65177010
Molecular FormulaC13H12ClF3
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1C1=CC(Cl)CCC1
InChIInChI=1S/C13H12ClF3/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15,16)17/h1-2,6-8,10H,3-5H2
InChIKeyXVUSDARBHZAPQL-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene (CID 65177010) is 1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene is FC(F)(F)c1ccccc1C1=CC(Cl)CCC1.
What is the InChIKey of 1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene?
The InChIKey is XVUSDARBHZAPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15,16)17/h1-2,6-8,10H,3-5H2.
What are the key properties of 1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene?
1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene has a molecular weight of 260.69 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclohexen-1-yl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 65177010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).