1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene

C16H13F3 — CID 118370757

IUPAC1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESCc1ccc(/C=C/c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H13F3/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)16(17,18)19/h2-11H,1H3/b10-9+
InChIKeyAIZQYCOYNWLQRG-MDZDMXLPSA-N
MW262.27 g/mol
LogP5.18
Rot. Bonds2

About 1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene

1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene (PubChem CID 118370757) has the molecular formula C16H13F3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene
PubChem CID118370757
Molecular FormulaC16H13F3
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESCc1ccc(/C=C/c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H13F3/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)16(17,18)19/h2-11H,1H3/b10-9+
InChIKeyAIZQYCOYNWLQRG-MDZDMXLPSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.27
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene?
The IUPAC name of 1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene (CID 118370757) is 1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene is Cc1ccc(/C=C/c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene?
The InChIKey is AIZQYCOYNWLQRG-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H13F3/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)16(17,18)19/h2-11H,1H3/b10-9+.
What are the key properties of 1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene?
1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene has a molecular weight of 262.27 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 118370757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).