(2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile

C19H11F2NO — CID 10828530

IUPAC(2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile
SMILESN#C/C=C1\C=C(c2ccc(F)cc2)C=C(c2ccc(F)cc2)O1
InChIInChI=1S/C19H11F2NO/c20-16-5-1-13(2-6-16)15-11-18(9-10-22)23-19(12-15)14-3-7-17(21)8-4-14/h1-9,11-12H/b18-9+
InChIKeyQJNVOJGAQMDCHI-GIJQJNRQSA-N
MW307.30 g/mol
LogP4.83
Rot. Bonds2

About (2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile

(2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile (PubChem CID 10828530) has the molecular formula C19H11F2NO and a molecular weight of 307.30 g/mol. Its IUPAC name is (2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile.

Molecular Properties

Compound Name(2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile
PubChem CID10828530
Molecular FormulaC19H11F2NO
Molecular Weight307.30 g/mol
Exact Mass307.08
IUPAC Name(2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile
SMILESN#C/C=C1\C=C(c2ccc(F)cc2)C=C(c2ccc(F)cc2)O1
InChIInChI=1S/C19H11F2NO/c20-16-5-1-13(2-6-16)15-11-18(9-10-22)23-19(12-15)14-3-7-17(21)8-4-14/h1-9,11-12H/b18-9+
InChIKeyQJNVOJGAQMDCHI-GIJQJNRQSA-N
XLogP4.83
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Cyano-4-methyl-5-phenyl-5-(trifluoromethyl)furan-2(5H)-ylidene)malononitrile
CID 11674067
2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile
CID 4244802
2-[3-Cyano-5-(2,4-difluorophenyl)-4,5-dimethylfuran-2-ylidene]propanedinitrile
CID 21337671
4-Ethyl-2,5,5-triphenyl-4,5-dihydrofuran-3-carbonitrile
CID 12176593
2,4,5-Triphenyl-5-propyl-4,5-dihydrofuran-3-carbonitrile
CID 12176598
4-(4-fluorophenyl)-2-phenyl-3,6-dihydro-2H-pyran
CID 101562364
2-(2-Methyl-6-phenyl-pyran-4-ylidene)-malononitrile
CID 789785
2,6-Bis(4-fluorophenyl)pyran-4-one
CID 799500
(2R,6S)-6-(4-fluorophenyl)-2-(2-phenylethyl)-3,6-dihydro-2H-pyran
CID 12139283
[(E)-1-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-phenylethenyl]benzene
CID 12914884
[1-(1,1,2,2,3,3,3-Heptafluoropropoxy)-2,2-diphenylethenyl]benzene
CID 12914885
[(Z)-3-fluoro-2-phenylmethoxyprop-1-enyl]benzene
CID 24978095

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile?
The IUPAC name of (2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile (CID 10828530) is (2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile.
What is the SMILES notation for (2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile?
The canonical SMILES for (2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile is N#C/C=C1\C=C(c2ccc(F)cc2)C=C(c2ccc(F)cc2)O1.
What is the InChIKey of (2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile?
The InChIKey is QJNVOJGAQMDCHI-GIJQJNRQSA-N. The full InChI is InChI=1S/C19H11F2NO/c20-16-5-1-13(2-6-16)15-11-18(9-10-22)23-19(12-15)14-3-7-17(21)8-4-14/h1-9,11-12H/b18-9+.
What are the key properties of (2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile?
(2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile has a molecular weight of 307.30 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]acetonitrile is sourced from PubChem (CID 10828530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).