(3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone

C15H9F2NO2 — CID 2475040

IUPAC(3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone
SMILESNc1c(C(=O)c2cc(F)ccc2F)oc2ccccc12
InChIInChI=1S/C15H9F2NO2/c16-8-5-6-11(17)10(7-8)14(19)15-13(18)9-3-1-2-4-12(9)20-15/h1-7H,18H2
InChIKeyKFRHIQKQGVLHRZ-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.52
Rot. Bonds2

About (3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone

(3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone (PubChem CID 2475040) has the molecular formula C15H9F2NO2 and a molecular weight of 273.24 g/mol. Its IUPAC name is (3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone
PubChem CID2475040
Molecular FormulaC15H9F2NO2
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name(3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone
SMILESNc1c(C(=O)c2cc(F)ccc2F)oc2ccccc12
InChIInChI=1S/C15H9F2NO2/c16-8-5-6-11(17)10(7-8)14(19)15-13(18)9-3-1-2-4-12(9)20-15/h1-7H,18H2
InChIKeyKFRHIQKQGVLHRZ-UHFFFAOYSA-N
XLogP3.52
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone?
The IUPAC name of (3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone (CID 2475040) is (3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone.
What is the SMILES notation for (3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone?
The canonical SMILES for (3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone is Nc1c(C(=O)c2cc(F)ccc2F)oc2ccccc12.
What is the InChIKey of (3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone?
The InChIKey is KFRHIQKQGVLHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO2/c16-8-5-6-11(17)10(7-8)14(19)15-13(18)9-3-1-2-4-12(9)20-15/h1-7H,18H2.
What are the key properties of (3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone?
(3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone has a molecular weight of 273.24 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 2475040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).