(3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

C15H11F2NO2 — CID 79773139

IUPAC(3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESNc1ccc(F)c(C(=O)c2ccc3c(c2)CCO3)c1F
InChIInChI=1S/C15H11F2NO2/c16-10-2-3-11(18)14(17)13(10)15(19)9-1-4-12-8(7-9)5-6-20-12/h1-4,7H,5-6,18H2
InChIKeyIMPQFRYKMUYZNZ-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.71
Rot. Bonds2

About (3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

(3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 79773139) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID79773139
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name(3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESNc1ccc(F)c(C(=O)c2ccc3c(c2)CCO3)c1F
InChIInChI=1S/C15H11F2NO2/c16-10-2-3-11(18)14(17)13(10)15(19)9-1-4-12-8(7-9)5-6-20-12/h1-4,7H,5-6,18H2
InChIKeyIMPQFRYKMUYZNZ-UHFFFAOYSA-N
XLogP2.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106944382
(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82875088
2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 65434765
2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877027
3,4-dihydro-2H-chromen-6-yl-(2,4,6-trifluorophenyl)methanone
CID 65101149
3,4-dihydro-2H-chromen-6-yl-(3,4,5-trifluorophenyl)methanone
CID 63187549
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
(2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160534
2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone
CID 43338491
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (CID 79773139) is (3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is Nc1ccc(F)c(C(=O)c2ccc3c(c2)CCO3)c1F.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is IMPQFRYKMUYZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c16-10-2-3-11(18)14(17)13(10)15(19)9-1-4-12-8(7-9)5-6-20-12/h1-4,7H,5-6,18H2.
What are the key properties of (3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
(3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 275.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 79773139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).