1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile

C15H10FNO — CID 57298186

IUPAC1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile
SMILESN#CC1(c2ccc(F)cc2)OCc2ccccc21
InChIInChI=1S/C15H10FNO/c16-13-7-5-12(6-8-13)15(10-17)14-4-2-1-3-11(14)9-18-15/h1-8H,9H2
InChIKeyTZAITSBCLSGKMM-UHFFFAOYSA-N
MW239.25 g/mol
LogP3.12
Rot. Bonds1

About 1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile

1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile (PubChem CID 57298186) has the molecular formula C15H10FNO and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile
PubChem CID57298186
Molecular FormulaC15H10FNO
Molecular Weight239.25 g/mol
Exact Mass239.07
IUPAC Name1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile
SMILESN#CC1(c2ccc(F)cc2)OCc2ccccc21
InChIInChI=1S/C15H10FNO/c16-13-7-5-12(6-8-13)15(10-17)14-4-2-1-3-11(14)9-18-15/h1-8H,9H2
InChIKeyTZAITSBCLSGKMM-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Didesmethylcitalopram
CID 162976
1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
CID 9856159
Citalopram aldehyde
CID 9944000
Didesmethylescitalopram
CID 40582667
2,2-Bis(4-fluorophenyl)tetrahydrofuran
CID 96739
3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
CID 9971966
2-(4-Fluorophenyl)tetrahydro-2-phenylfuran
CID 3019788
1-(4-fluorophenyl)-1-(4-methylpentyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
CID 45263392
(3S)-3-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-1H-2-benzofuran-1-carbonitrile
CID 90688364
1-(Trifluoromethyl)-1-methyl-1,3-dihydroisobenzofuran
CID 101513430
Phthalan, 1,1-dimethyl-3-phenyl-
CID 610622
1,1-Bis(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
CID 24208003

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile (CID 57298186) is 1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile is N#CC1(c2ccc(F)cc2)OCc2ccccc21.
What is the InChIKey of 1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile?
The InChIKey is TZAITSBCLSGKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO/c16-13-7-5-12(6-8-13)15(10-17)14-4-2-1-3-11(14)9-18-15/h1-8H,9H2.
What are the key properties of 1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile?
1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile has a molecular weight of 239.25 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3H-2-benzofuran-1-carbonitrile is sourced from PubChem (CID 57298186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).