4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile

C15H10FNO — CID 67321697

IUPAC4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2c(c1-c1ccc(F)cc1)COC2
InChIInChI=1S/C15H10FNO/c16-13-5-3-10(4-6-13)15-11(7-17)1-2-12-8-18-9-14(12)15/h1-6H,8-9H2
InChIKeyKEVFXLGVIYCXKO-UHFFFAOYSA-N
MW239.25 g/mol
LogP3.39
Rot. Bonds1

About 4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile

4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile (PubChem CID 67321697) has the molecular formula C15H10FNO and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
PubChem CID67321697
Molecular FormulaC15H10FNO
Molecular Weight239.25 g/mol
Exact Mass239.07
IUPAC Name4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2c(c1-c1ccc(F)cc1)COC2
InChIInChI=1S/C15H10FNO/c16-13-5-3-10(4-6-13)15-11(7-17)1-2-12-8-18-9-14(12)15/h1-6H,8-9H2
InChIKeyKEVFXLGVIYCXKO-UHFFFAOYSA-N
XLogP3.39
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-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

Escitalopram
CID 146570
Citalopram
CID 2771
Citalopram Hydrobromide
CID 77995
Didesmethylcitalopram
CID 162976
(-)-Citalopram
CID 6101829
1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
CID 9856159
Citalopram aldehyde
CID 9944000
Didesmethylescitalopram
CID 40582667
[3H]-Citalopram
CID 53325928
1-(4-fluorophenyl)-1-[3-[methyl(propyl)amino]propyl]-3H-2-benzofuran-5-carbonitrile
CID 72793639
Citalopram hydrochloride
CID 3020376
1-[3-[butyl(methyl)amino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
CID 72793640

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile (CID 67321697) is 4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile is N#Cc1ccc2c(c1-c1ccc(F)cc1)COC2.
What is the InChIKey of 4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile?
The InChIKey is KEVFXLGVIYCXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO/c16-13-5-3-10(4-6-13)15-11(7-17)1-2-12-8-18-9-14(12)15/h1-6H,8-9H2.
What are the key properties of 4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile?
4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile has a molecular weight of 239.25 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile is sourced from PubChem (CID 67321697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).