2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile

C21H14FN — CID 5234959

IUPAC2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(-c2ccccc2)cc1)c1ccccc1F
InChIInChI=1S/C21H14FN/c22-21-9-5-4-8-20(21)19(15-23)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H
InChIKeyCWFDUDYFKFKDAC-UHFFFAOYSA-N
MW299.35 g/mol
LogP5.56
Rot. Bonds3

About 2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile

2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile (PubChem CID 5234959) has the molecular formula C21H14FN and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile
PubChem CID5234959
Molecular FormulaC21H14FN
Molecular Weight299.35 g/mol
Exact Mass299.11
IUPAC Name2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(-c2ccccc2)cc1)c1ccccc1F
InChIInChI=1S/C21H14FN/c22-21-9-5-4-8-20(21)19(15-23)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H
InChIKeyCWFDUDYFKFKDAC-UHFFFAOYSA-N
XLogP5.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.35
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 3979739
(Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
CID 853953
(E)-2-(2-fluorobenzoyl)-3-(4-phenylphenyl)prop-2-enenitrile
CID 9337068
(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896
(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile
CID 59189377
(E)-2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 2219144
2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 974306
[4-[(E)-2-cyano-2-(2-fluorophenyl)ethenyl]phenyl] 2,2-diphenylacetate
CID 39114064
[4-[(E)-2-cyano-2-(2-fluorophenyl)ethenyl]phenyl] 2-phenoxyacetate
CID 39114076
[4-[(E)-2-cyano-2-(2-fluorophenyl)ethenyl]phenyl] 2-methylpropanoate
CID 39114036
2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 696764
(Z)-2-(2-fluorophenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 2091693

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile?
The IUPAC name of 2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile (CID 5234959) is 2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile?
The canonical SMILES for 2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile is N#CC(=Cc1ccc(-c2ccccc2)cc1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile?
The InChIKey is CWFDUDYFKFKDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN/c22-21-9-5-4-8-20(21)19(15-23)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H.
What are the key properties of 2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile?
2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile has a molecular weight of 299.35 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile is sourced from PubChem (CID 5234959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).