1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene

C16H19F3O — CID 18972282

IUPAC1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene
SMILESCO/C=C/C1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3O/c1-20-11-10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16(17,18)19/h6-13H,2-5H2,1H3/b11-10+
InChIKeyJQKHZLKJOPVBHT-ZHACJKMWSA-N
MW284.32 g/mol
LogP5.14
Rot. Bonds3

About 1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene

1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene (PubChem CID 18972282) has the molecular formula C16H19F3O and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene
PubChem CID18972282
Molecular FormulaC16H19F3O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene
SMILESCO/C=C/C1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3O/c1-20-11-10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16(17,18)19/h6-13H,2-5H2,1H3/b11-10+
InChIKeyJQKHZLKJOPVBHT-ZHACJKMWSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.32
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene (CID 18972282) is 1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene is CO/C=C/C1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene?
The InChIKey is JQKHZLKJOPVBHT-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H19F3O/c1-20-11-10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16(17,18)19/h6-13H,2-5H2,1H3/b11-10+.
What are the key properties of 1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene?
1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene has a molecular weight of 284.32 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-methoxyethenyl]cyclohexyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 18972282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).