1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene

C15H19F3 — CID 158493904

IUPAC1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene
SMILESCC1=CCCCC1.Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3.C7H12/c1-6-2-4-7(5-3-6)8(9,10)11;1-7-5-3-2-4-6-7/h2-5H,1H3;5H,2-4,6H2,1H3
InChIKeyHJARYIYNGOSVOT-UHFFFAOYSA-N
MW256.31 g/mol
LogP5.52
Rot. Bonds

About 1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene

1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene (PubChem CID 158493904) has the molecular formula C15H19F3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene
PubChem CID158493904
Molecular FormulaC15H19F3
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene
SMILESCC1=CCCCC1.Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3.C7H12/c1-6-2-4-7(5-3-6)8(9,10)11;1-7-5-3-2-4-6-7/h2-5H,1H3;5H,2-4,6H2,1H3
InChIKeyHJARYIYNGOSVOT-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.31
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene (CID 158493904) is 1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene is CC1=CCCCC1.Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene?
The InChIKey is HJARYIYNGOSVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3.C7H12/c1-6-2-4-7(5-3-6)8(9,10)11;1-7-5-3-2-4-6-7/h2-5H,1H3;5H,2-4,6H2,1H3.
What are the key properties of 1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene?
1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene has a molecular weight of 256.31 g/mol, XLogP of 5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 158493904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).