(E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile

C16H10F3N — CID 59499325

IUPAC(E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESN#C/C=C(\c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10F3N/c17-16(18,19)15-9-5-4-8-14(15)13(10-11-20)12-6-2-1-3-7-12/h1-10H/b13-10+
InChIKeyHJHPLXRJLWGEMW-JLHYYAGUSA-N
MW273.26 g/mol
LogP4.66
Rot. Bonds2

About (E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile

(E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile (PubChem CID 59499325) has the molecular formula C16H10F3N and a molecular weight of 273.26 g/mol. Its IUPAC name is (E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
PubChem CID59499325
Molecular FormulaC16H10F3N
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name(E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESN#C/C=C(\c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10F3N/c17-16(18,19)15-9-5-4-8-14(15)13(10-11-20)12-6-2-1-3-7-12/h1-10H/b13-10+
InChIKeyHJHPLXRJLWGEMW-JLHYYAGUSA-N
XLogP4.66
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bromo(trifluoro)methane;3,3-diphenylprop-2-enenitrile
CID 174367597
benzene;3,3-diphenylprop-2-enenitrile
CID 174934225
(E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171986961
3-hydroxy-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 172704714
N-(2-cyanophenyl)-2-(trifluoromethyl)benzamide
CID 24695576
3-phenyl-3-pyridin-3-ylprop-2-enenitrile
CID 66602387
potassium 2-(trifluoromethyl)benzoate
CID 162538888
(Z)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 67745537
4-[[(E)-3-amino-2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enylidene]amino]benzoic acid
CID 145494332
2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline
CID 68579329
(Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine
CID 162550833
2-benzoyl-3-(trifluoromethyl)benzonitrile
CID 154239239

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile?
The IUPAC name of (E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile (CID 59499325) is (E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile.
What is the SMILES notation for (E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile?
The canonical SMILES for (E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile is N#C/C=C(\c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of (E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile?
The InChIKey is HJHPLXRJLWGEMW-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H10F3N/c17-16(18,19)15-9-5-4-8-14(15)13(10-11-20)12-6-2-1-3-7-12/h1-10H/b13-10+.
What are the key properties of (E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile?
(E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile has a molecular weight of 273.26 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile is sourced from PubChem (CID 59499325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).