(2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile

C16H12F2N2O — CID 71142039

IUPAC(2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile
SMILESCC1=C(C#N)/C(=C(\C)C#N)OC1(C)c1ccc(F)cc1F
InChIInChI=1S/C16H12F2N2O/c1-9(7-19)15-12(8-20)10(2)16(3,21-15)13-5-4-11(17)6-14(13)18/h4-6H,1-3H3/b15-9-
InChIKeyCHSIHFPWBYEFOQ-DHDCSXOGSA-N
MW286.28 g/mol
LogP3.85
Rot. Bonds1

About (2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile

(2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile (PubChem CID 71142039) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is (2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile.

Molecular Properties

Compound Name(2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile
PubChem CID71142039
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name(2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile
SMILESCC1=C(C#N)/C(=C(\C)C#N)OC1(C)c1ccc(F)cc1F
InChIInChI=1S/C16H12F2N2O/c1-9(7-19)15-12(8-20)10(2)16(3,21-15)13-5-4-11(17)6-14(13)18/h4-6H,1-3H3/b15-9-
InChIKeyCHSIHFPWBYEFOQ-DHDCSXOGSA-N
XLogP3.85
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
[5-(4-Butylphenyl)-3-cyano-4,5-dimethylfuran-2(5H)-ylidene]propanedinitrile
CID 12138434
2-[3-Cyano-5-(2,4-difluorophenyl)-4,5-dimethylfuran-2-ylidene]propanedinitrile
CID 21337671
2-[3-Cyano-4,5-dimethyl-5-(2,3,4,5,6-pentafluorophenyl)furan-2-ylidene]propanedinitrile
CID 56646802
Methoxyphenyl(trifluoromethyl)acetonitrile
CID 589652
3,3-Dimethyl-2-phenyloxirane-2-carbonitrile
CID 228843
2-[Methoxy(phenyl)methylidene]propanedinitrile
CID 726895
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
3beta-[(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-1-cyclopentene-1-carbonitrile
CID 52912665
Trifluoromethyl-phenyl-tricyano-furan
CID 89877664
2-(2-Methyl-6-phenyl-pyran-4-ylidene)-malononitrile
CID 789785

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile?
The IUPAC name of (2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile (CID 71142039) is (2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile.
What is the SMILES notation for (2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile?
The canonical SMILES for (2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile is CC1=C(C#N)/C(=C(\C)C#N)OC1(C)c1ccc(F)cc1F.
What is the InChIKey of (2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile?
The InChIKey is CHSIHFPWBYEFOQ-DHDCSXOGSA-N. The full InChI is InChI=1S/C16H12F2N2O/c1-9(7-19)15-12(8-20)10(2)16(3,21-15)13-5-4-11(17)6-14(13)18/h4-6H,1-3H3/b15-9-.
What are the key properties of (2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile?
(2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile has a molecular weight of 286.28 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-cyanoethylidene)-5-(2,4-difluorophenyl)-4,5-dimethylfuran-3-carbonitrile is sourced from PubChem (CID 71142039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).