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

C17H15FN2 — CID 853950

IUPAC(Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile
SMILESCN(C)c1ccc(/C=C(\C#N)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2/c1-20(2)17-9-3-13(4-10-17)11-15(12-19)14-5-7-16(18)8-6-14/h3-11H,1-2H3/b15-11+
InChIKeyRFEJMKDVVUJCAF-RVDMUPIBSA-N
MW266.32 g/mol
LogP3.96
Rot. Bonds3

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

(Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile (PubChem CID 853950) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile
PubChem CID853950
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name(Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile
SMILESCN(C)c1ccc(/C=C(\C#N)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN2/c1-20(2)17-9-3-13(4-10-17)11-15(12-19)14-5-7-16(18)8-6-14/h3-11H,1-2H3/b15-11+
InChIKeyRFEJMKDVVUJCAF-RVDMUPIBSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile (CID 853950) is (Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile is CN(C)c1ccc(/C=C(\C#N)c2ccc(F)cc2)cc1.
What is the InChIKey of (Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile?
The InChIKey is RFEJMKDVVUJCAF-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H15FN2/c1-20(2)17-9-3-13(4-10-17)11-15(12-19)14-5-7-16(18)8-6-14/h3-11H,1-2H3/b15-11+.
What are the key properties of (Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile?
(Z)-3-[4-(dimethylamino)phenyl]-2-(4-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-(4-fluorophenyl)prop-2-enenitrile is sourced from PubChem (CID 853950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).