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

C16H13FN2O — CID 71142052

IUPAC(2Z)-2-(1-cyanoethylidene)-5-(4-fluorophenyl)-4,5-dimethylfuran-3-carbonitrile
SMILESCC1=C(C#N)/C(=C(\C)C#N)OC1(C)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c1-10(8-18)15-14(9-19)11(2)16(3,20-15)12-4-6-13(17)7-5-12/h4-7H,1-3H3/b15-10-
InChIKeyGBUBLTHQTLMKAY-GDNBJRDFSA-N
MW268.29 g/mol
LogP3.71
Rot. Bonds1

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

(2Z)-2-(1-cyanoethylidene)-5-(4-fluorophenyl)-4,5-dimethylfuran-3-carbonitrile (PubChem CID 71142052) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is (2Z)-2-(1-cyanoethylidene)-5-(4-fluorophenyl)-4,5-dimethylfuran-3-carbonitrile.

Molecular Properties

Compound Name(2Z)-2-(1-cyanoethylidene)-5-(4-fluorophenyl)-4,5-dimethylfuran-3-carbonitrile
PubChem CID71142052
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name(2Z)-2-(1-cyanoethylidene)-5-(4-fluorophenyl)-4,5-dimethylfuran-3-carbonitrile
SMILESCC1=C(C#N)/C(=C(\C)C#N)OC1(C)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c1-10(8-18)15-14(9-19)11(2)16(3,20-15)12-4-6-13(17)7-5-12/h4-7H,1-3H3/b15-10-
InChIKeyGBUBLTHQTLMKAY-GDNBJRDFSA-N
XLogP3.71
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z)-2-(1-cyanoethylidene)-5-(4-fluorophenyl)-4,5-dimethylfuran-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(3-Fluorophenyl)-2-methoxyacetonitrile
CID 66070705
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
Trifluoromethyl-phenyl-tricyano-furan
CID 89877664
3-(4-Fluorophenyl)oxirane-2,2-dicarbonitrile
CID 137758580

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-cyanoethylidene)-5-(4-fluorophenyl)-4,5-dimethylfuran-3-carbonitrile?
The IUPAC name of (2Z)-2-(1-cyanoethylidene)-5-(4-fluorophenyl)-4,5-dimethylfuran-3-carbonitrile (CID 71142052) is (2Z)-2-(1-cyanoethylidene)-5-(4-fluorophenyl)-4,5-dimethylfuran-3-carbonitrile.
What is the SMILES notation for (2Z)-2-(1-cyanoethylidene)-5-(4-fluorophenyl)-4,5-dimethylfuran-3-carbonitrile?
The canonical SMILES for (2Z)-2-(1-cyanoethylidene)-5-(4-fluorophenyl)-4,5-dimethylfuran-3-carbonitrile is CC1=C(C#N)/C(=C(\C)C#N)OC1(C)c1ccc(F)cc1.
What is the InChIKey of (2Z)-2-(1-cyanoethylidene)-5-(4-fluorophenyl)-4,5-dimethylfuran-3-carbonitrile?
The InChIKey is GBUBLTHQTLMKAY-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10(8-18)15-14(9-19)11(2)16(3,20-15)12-4-6-13(17)7-5-12/h4-7H,1-3H3/b15-10-.
What are the key properties of (2Z)-2-(1-cyanoethylidene)-5-(4-fluorophenyl)-4,5-dimethylfuran-3-carbonitrile?
(2Z)-2-(1-cyanoethylidene)-5-(4-fluorophenyl)-4,5-dimethylfuran-3-carbonitrile has a molecular weight of 268.29 g/mol, XLogP of 3.71, 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-(4-fluorophenyl)-4,5-dimethylfuran-3-carbonitrile is sourced from PubChem (CID 71142052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).