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

C16H13F3O — CID 59729397

IUPAC1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCO/C=C/c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3O/c1-20-11-10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16(17,18)19/h2-11H,1H3/b11-10+
InChIKeyOFKZVOVLBJFHDK-ZHACJKMWSA-N
MW278.27 g/mol
LogP4.99
Rot. Bonds3

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

1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 59729397) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene
PubChem CID59729397
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCO/C=C/c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3O/c1-20-11-10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16(17,18)19/h2-11H,1H3/b11-10+
InChIKeyOFKZVOVLBJFHDK-ZHACJKMWSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene (CID 59729397) is 1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene is CO/C=C/c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is OFKZVOVLBJFHDK-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H13F3O/c1-20-11-10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16(17,18)19/h2-11H,1H3/b11-10+.
What are the key properties of 1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene?
1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 278.27 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methoxyethenyl]-4-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 59729397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).