(2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile

C17H12FN — CID 20836458

IUPAC(2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile
SMILESN#C/C(=C/C=C\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN/c18-17-11-9-15(10-12-17)16(13-19)8-4-7-14-5-2-1-3-6-14/h1-12H/b7-4-,16-8-
InChIKeyQGVOKVHULDCKGJ-HASPRUBHSA-N
MW249.29 g/mol
LogP4.45
Rot. Bonds3

About (2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile

(2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile (PubChem CID 20836458) has the molecular formula C17H12FN and a molecular weight of 249.29 g/mol. Its IUPAC name is (2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile
PubChem CID20836458
Molecular FormulaC17H12FN
Molecular Weight249.29 g/mol
Exact Mass249.10
IUPAC Name(2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile
SMILESN#C/C(=C/C=C\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN/c18-17-11-9-15(10-12-17)16(13-19)8-4-7-14-5-2-1-3-6-14/h1-12H/b7-4-,16-8-
InChIKeyQGVOKVHULDCKGJ-HASPRUBHSA-N
XLogP4.45
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile
CID 1248488
2-(4-methoxyphenyl)-5-phenylpenta-2,4-dienenitrile
CID 3317052
(2E,4E)-2-(4-fluorobenzoyl)-5-phenylpenta-2,4-dienenitrile
CID 9337821
[(1E,3Z)-4-phenylhexa-1,3-dien-5-ynyl]benzene
CID 100974511
(2E,4E)-2-cyano-N-(4-fluorophenyl)-5-phenylpenta-2,4-dienamide
CID 6106364
(Z)-2-(4-fluorophenyl)but-2-enenitrile
CID 11041007
(2E,4E)-5-(4-methoxyphenyl)-2-(4-methylphenyl)penta-2,4-dienenitrile
CID 6341462
(2E,4E)-2-(1,3-benzoxazol-2-yl)-5-phenylpenta-2,4-dienenitrile
CID 936442
(2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile
CID 12034343
2-(7-phenylhepta-2,4,6-trienylidene)propanedinitrile
CID 575621
(2Z,4E)-2-(benzenesulfinyl)-5-phenylpenta-2,4-dienenitrile
CID 155814868
(2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile
CID 178066109

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile?
The IUPAC name of (2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile (CID 20836458) is (2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile.
What is the SMILES notation for (2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile?
The canonical SMILES for (2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile is N#C/C(=C/C=C\c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile?
The InChIKey is QGVOKVHULDCKGJ-HASPRUBHSA-N. The full InChI is InChI=1S/C17H12FN/c18-17-11-9-15(10-12-17)16(13-19)8-4-7-14-5-2-1-3-6-14/h1-12H/b7-4-,16-8-.
What are the key properties of (2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile?
(2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile has a molecular weight of 249.29 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-(4-fluorophenyl)-5-phenylpenta-2,4-dienenitrile is sourced from PubChem (CID 20836458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).