1-(2-amino-4,5-difluorophenyl)-2-phenylethanone

C14H11F2NO — CID 132915843

IUPAC1-(2-amino-4,5-difluorophenyl)-2-phenylethanone
SMILESNc1cc(F)c(F)cc1C(=O)Cc1ccccc1
InChIInChI=1S/C14H11F2NO/c15-11-7-10(13(17)8-12(11)16)14(18)6-9-4-2-1-3-5-9/h1-5,7-8H,6,17H2
InChIKeyNEATZVISJHDMKY-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.97
Rot. Bonds3

About 1-(2-amino-4,5-difluorophenyl)-2-phenylethanone

1-(2-amino-4,5-difluorophenyl)-2-phenylethanone (PubChem CID 132915843) has the molecular formula C14H11F2NO and a molecular weight of 247.24 g/mol. Its IUPAC name is 1-(2-amino-4,5-difluorophenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-amino-4,5-difluorophenyl)-2-phenylethanone
PubChem CID132915843
Molecular FormulaC14H11F2NO
Molecular Weight247.24 g/mol
Exact Mass247.08
IUPAC Name1-(2-amino-4,5-difluorophenyl)-2-phenylethanone
SMILESNc1cc(F)c(F)cc1C(=O)Cc1ccccc1
InChIInChI=1S/C14H11F2NO/c15-11-7-10(13(17)8-12(11)16)14(18)6-9-4-2-1-3-5-9/h1-5,7-8H,6,17H2
InChIKeyNEATZVISJHDMKY-UHFFFAOYSA-N
XLogP2.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminonaphthalen-2-yl)-2-phenylethanone
CID 116560313
1-(6-amino-1,3-benzodioxol-5-yl)-2-phenylethanone
CID 11608549
1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone
CID 112556286
1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 62866029
1-(2-amino-5-tert-butylphenyl)-2-phenylethanone
CID 83988014
1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone
CID 83987969
1-(3-aminonaphthalen-2-yl)-2-(2-fluorophenyl)ethanone
CID 116560408
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone
CID 103301488
1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone
CID 83988494
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5-difluorophenyl)-2-phenylethanone?
The IUPAC name of 1-(2-amino-4,5-difluorophenyl)-2-phenylethanone (CID 132915843) is 1-(2-amino-4,5-difluorophenyl)-2-phenylethanone.
What is the SMILES notation for 1-(2-amino-4,5-difluorophenyl)-2-phenylethanone?
The canonical SMILES for 1-(2-amino-4,5-difluorophenyl)-2-phenylethanone is Nc1cc(F)c(F)cc1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(2-amino-4,5-difluorophenyl)-2-phenylethanone?
The InChIKey is NEATZVISJHDMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO/c15-11-7-10(13(17)8-12(11)16)14(18)6-9-4-2-1-3-5-9/h1-5,7-8H,6,17H2.
What are the key properties of 1-(2-amino-4,5-difluorophenyl)-2-phenylethanone?
1-(2-amino-4,5-difluorophenyl)-2-phenylethanone has a molecular weight of 247.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5-difluorophenyl)-2-phenylethanone is sourced from PubChem (CID 132915843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).