(2Z)-2-(1-cyanoethylidene)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile

C16H11F3N2O — CID 59370988

IUPAC(2Z)-2-(1-cyanoethylidene)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile
SMILESCC1=C(C#N)/C(=C(\C)C#N)OC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H11F3N2O/c1-10(8-20)14-13(9-21)11(2)15(22-14,16(17,18)19)12-6-4-3-5-7-12/h3-7H,1-2H3/b14-10-
InChIKeyAJZHGMNXMIFHLG-UVTDQMKNSA-N
MW304.27 g/mol
LogP4.11
Rot. Bonds1

About (2Z)-2-(1-cyanoethylidene)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile

(2Z)-2-(1-cyanoethylidene)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile (PubChem CID 59370988) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is (2Z)-2-(1-cyanoethylidene)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile.

Molecular Properties

Compound Name(2Z)-2-(1-cyanoethylidene)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile
PubChem CID59370988
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name(2Z)-2-(1-cyanoethylidene)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile
SMILESCC1=C(C#N)/C(=C(\C)C#N)OC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H11F3N2O/c1-10(8-20)14-13(9-21)11(2)15(22-14,16(17,18)19)12-6-4-3-5-7-12/h3-7H,1-2H3/b14-10-
InChIKeyAJZHGMNXMIFHLG-UVTDQMKNSA-N
XLogP4.11
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.11
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
4-(3,3-Difluoro-4-methyloxolan-2-yl)benzonitrile
CID 73069149
3beta-[(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-1-cyclopentene-1-carbonitrile
CID 52912665
Trifluoromethyl-phenyl-tricyano-furan
CID 89877664

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-cyanoethylidene)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile?
The IUPAC name of (2Z)-2-(1-cyanoethylidene)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile (CID 59370988) is (2Z)-2-(1-cyanoethylidene)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile.
What is the SMILES notation for (2Z)-2-(1-cyanoethylidene)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile?
The canonical SMILES for (2Z)-2-(1-cyanoethylidene)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile is CC1=C(C#N)/C(=C(\C)C#N)OC1(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2Z)-2-(1-cyanoethylidene)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile?
The InChIKey is AJZHGMNXMIFHLG-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H11F3N2O/c1-10(8-20)14-13(9-21)11(2)15(22-14,16(17,18)19)12-6-4-3-5-7-12/h3-7H,1-2H3/b14-10-.
What are the key properties of (2Z)-2-(1-cyanoethylidene)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile?
(2Z)-2-(1-cyanoethylidene)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile has a molecular weight of 304.27 g/mol, XLogP of 4.11, 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)-4-methyl-5-phenyl-5-(trifluoromethyl)furan-3-carbonitrile is sourced from PubChem (CID 59370988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).