2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile

C15H11FN2O — CID 78983698

IUPAC2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NC1COc2ccccc21
InChIInChI=1S/C15H11FN2O/c16-12-5-3-6-13(11(12)8-17)18-14-9-19-15-7-2-1-4-10(14)15/h1-7,14,18H,9H2
InChIKeyJMFIXASGNRXIPZ-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.24
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile

2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile (PubChem CID 78983698) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile
PubChem CID78983698
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NC1COc2ccccc21
InChIInChI=1S/C15H11FN2O/c16-12-5-3-6-13(11(12)8-17)18-14-9-19-15-7-2-1-4-10(14)15/h1-7,14,18H,9H2
InChIKeyJMFIXASGNRXIPZ-UHFFFAOYSA-N
XLogP3.24
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile
CID 133295832
3-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile
CID 104663697
4-bromo-2-(2,3-dihydro-1-benzofuran-3-ylamino)benzonitrile
CID 114901907
3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine
CID 104834591
5-(2,3-dihydro-1-benzofuran-3-ylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375468
3-(2,3-dihydro-1-benzofuran-3-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 62065580
2-fluoro-6-(oxan-3-ylamino)benzonitrile
CID 63611402
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-6-fluorobenzonitrile
CID 43778320
2-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide
CID 115992767
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-6-fluorobenzonitrile
CID 43636859
2-fluoro-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzonitrile
CID 133311142
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile (CID 78983698) is 2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile is N#Cc1c(F)cccc1NC1COc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile?
The InChIKey is JMFIXASGNRXIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-5-3-6-13(11(12)8-17)18-14-9-19-15-7-2-1-4-10(14)15/h1-7,14,18H,9H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile?
2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile has a molecular weight of 254.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-ylamino)-6-fluorobenzonitrile is sourced from PubChem (CID 78983698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).