(Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile

C17H15FN2 — CID 853953

IUPAC(Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
SMILESCN(C)c1ccc(/C=C(\C#N)c2ccccc2F)cc1
InChIInChI=1S/C17H15FN2/c1-20(2)15-9-7-13(8-10-15)11-14(12-19)16-5-3-4-6-17(16)18/h3-11H,1-2H3/b14-11+
InChIKeyNEUQMXUGYVPJNJ-SDNWHVSQSA-N
MW266.32 g/mol
LogP3.96
Rot. Bonds3

About (Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile

(Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile (PubChem CID 853953) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
PubChem CID853953
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name(Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
SMILESCN(C)c1ccc(/C=C(\C#N)c2ccccc2F)cc1
InChIInChI=1S/C17H15FN2/c1-20(2)15-9-7-13(8-10-15)11-14(12-19)16-5-3-4-6-17(16)18/h3-11H,1-2H3/b14-11+
InChIKeyNEUQMXUGYVPJNJ-SDNWHVSQSA-N
XLogP3.96
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'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-phenylphenyl)prop-2-enenitrile
CID 5234959
2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 3979739
(Z)-3-(dimethylamino)-2-(2-fluorophenyl)prop-2-enenitrile
CID 71683830
(E)-3-[4-(dimethylamino)phenyl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 1250195
(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-methylpropanoate
CID 39114036
3-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylprop-2-enenitrile
CID 3991442
4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile
CID 935173
2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 696764
[4-[(E)-2-cyano-2-(2-fluorophenyl)ethenyl]phenyl] 2,2-diphenylacetate
CID 39114064
3-(4-ethoxy-3-iodophenyl)-2-(2-fluorophenyl)prop-2-enenitrile
CID 3270390

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile (CID 853953) is (Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile is CN(C)c1ccc(/C=C(\C#N)c2ccccc2F)cc1.
What is the InChIKey of (Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile?
The InChIKey is NEUQMXUGYVPJNJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H15FN2/c1-20(2)15-9-7-13(8-10-15)11-14(12-19)16-5-3-4-6-17(16)18/h3-11H,1-2H3/b14-11+.
What are the key properties of (Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile?
(Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile has a molecular weight of 266.32 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile is sourced from PubChem (CID 853953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).