(E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile

C15H9F3N2 — CID 11108538

IUPAC(E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile
SMILESN#C/C=C(/Nc1ccc(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C15H9F3N2/c16-11-6-7-13(15(18)14(11)17)20-12(8-9-19)10-4-2-1-3-5-10/h1-8,20H/b12-8+
InChIKeyCYVHFOSZFWJTBM-XYOKQWHBSA-N
MW274.25 g/mol
LogP4.08
Rot. Bonds3

About (E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile

(E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile (PubChem CID 11108538) has the molecular formula C15H9F3N2 and a molecular weight of 274.25 g/mol. Its IUPAC name is (E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile
PubChem CID11108538
Molecular FormulaC15H9F3N2
Molecular Weight274.25 g/mol
Exact Mass274.07
IUPAC Name(E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile
SMILESN#C/C=C(/Nc1ccc(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C15H9F3N2/c16-11-6-7-13(15(18)14(11)17)20-12(8-9-19)10-4-2-1-3-5-10/h1-8,20H/b12-8+
InChIKeyCYVHFOSZFWJTBM-XYOKQWHBSA-N
XLogP4.08
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile
CID 135071522
4-benzamido-N-(2,3,4-trifluorophenyl)benzamide
CID 30705483
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282
(E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 26358362
benzene;3,3-diphenylprop-2-enenitrile
CID 174934225
N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 30716981
2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8967350
3-[(2,3,4-trifluorophenyl)carbamoylamino]benzoic acid
CID 108892424
1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108867200
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 43038343
N-(2,3,4-trifluorophenyl)carbamoyl chloride
CID 135378895
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile?
The IUPAC name of (E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile (CID 11108538) is (E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile.
What is the SMILES notation for (E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile?
The canonical SMILES for (E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile is N#C/C=C(/Nc1ccc(F)c(F)c1F)c1ccccc1.
What is the InChIKey of (E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile?
The InChIKey is CYVHFOSZFWJTBM-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H9F3N2/c16-11-6-7-13(15(18)14(11)17)20-12(8-9-19)10-4-2-1-3-5-10/h1-8,20H/b12-8+.
What are the key properties of (E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile?
(E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile has a molecular weight of 274.25 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-3-(2,3,4-trifluoroanilino)prop-2-enenitrile is sourced from PubChem (CID 11108538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).