4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline

C15H12F3N — CID 141309127

IUPAC4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline
SMILESNc1ccc(/C=C/c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12F3N/c16-15(17,18)13-3-1-2-12(10-13)5-4-11-6-8-14(19)9-7-11/h1-10H,19H2/b5-4+
InChIKeyGLVYJHZDFRFPBC-SNAWJCMRSA-N
MW263.26 g/mol
LogP4.46
Rot. Bonds2

About 4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline

4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline (PubChem CID 141309127) has the molecular formula C15H12F3N and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline
PubChem CID141309127
Molecular FormulaC15H12F3N
Molecular Weight263.26 g/mol
Exact Mass263.09
IUPAC Name4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline
SMILESNc1ccc(/C=C/c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12F3N/c16-15(17,18)13-3-1-2-12(10-13)5-4-11-6-8-14(19)9-7-11/h1-10H,19H2/b5-4+
InChIKeyGLVYJHZDFRFPBC-SNAWJCMRSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
1-[(4-aminophenyl)methyl]-3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]urea
CID 121264646
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
4-[2-(3-methylphenyl)ethenyl]aniline
CID 59935146
1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
CID 53441843
aniline;3-(trifluoromethyl)aniline
CID 160634583
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
3-fluoro-5-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476262
1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 164762812
1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
CID 175767255
6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyridine-2-carbaldehyde
CID 122476089

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline?
The IUPAC name of 4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline (CID 141309127) is 4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline is Nc1ccc(/C=C/c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline?
The InChIKey is GLVYJHZDFRFPBC-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H12F3N/c16-15(17,18)13-3-1-2-12(10-13)5-4-11-6-8-14(19)9-7-11/h1-10H,19H2/b5-4+.
What are the key properties of 4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline?
4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline has a molecular weight of 263.26 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline is sourced from PubChem (CID 141309127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).