2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile

C23H15F2NO — CID 15324049

IUPAC2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile
SMILESN#CC1=C(c2ccccc2)OC(c2ccc(F)cc2)(c2ccc(F)cc2)C1
InChIInChI=1S/C23H15F2NO/c24-20-10-6-18(7-11-20)23(19-8-12-21(25)13-9-19)14-17(15-26)22(27-23)16-4-2-1-3-5-16/h1-13H,14H2
InChIKeyCXZZIKZTQBUGQC-UHFFFAOYSA-N
MW359.38 g/mol
LogP5.56
Rot. Bonds3

About 2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile

2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile (PubChem CID 15324049) has the molecular formula C23H15F2NO and a molecular weight of 359.38 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile
PubChem CID15324049
Molecular FormulaC23H15F2NO
Molecular Weight359.38 g/mol
Exact Mass359.11
IUPAC Name2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile
SMILESN#CC1=C(c2ccccc2)OC(c2ccc(F)cc2)(c2ccc(F)cc2)C1
InChIInChI=1S/C23H15F2NO/c24-20-10-6-18(7-11-20)23(19-8-12-21(25)13-9-19)14-17(15-26)22(27-23)16-4-2-1-3-5-16/h1-13H,14H2
InChIKeyCXZZIKZTQBUGQC-UHFFFAOYSA-N
XLogP5.56
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.38
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile?
The IUPAC name of 2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile (CID 15324049) is 2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile is N#CC1=C(c2ccccc2)OC(c2ccc(F)cc2)(c2ccc(F)cc2)C1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile?
The InChIKey is CXZZIKZTQBUGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2NO/c24-20-10-6-18(7-11-20)23(19-8-12-21(25)13-9-19)14-17(15-26)22(27-23)16-4-2-1-3-5-16/h1-13H,14H2.
What are the key properties of 2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile?
2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile has a molecular weight of 359.38 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-5-phenyl-3H-furan-4-carbonitrile is sourced from PubChem (CID 15324049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).