1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one

C12H13F2NO2 — CID 57095758

IUPAC1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one
SMILESCC(F)C(=O)c1ccc(N)cc1C(=O)C(C)F
InChIInChI=1S/C12H13F2NO2/c1-6(13)11(16)9-4-3-8(15)5-10(9)12(17)7(2)14/h3-7H,15H2,1-2H3
InChIKeyUFWITUSVYABLOQ-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.35
Rot. Bonds4

About 1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one

1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one (PubChem CID 57095758) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one.

Molecular Properties

Compound Name1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one
PubChem CID57095758
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one
SMILESCC(F)C(=O)c1ccc(N)cc1C(=O)C(C)F
InChIInChI=1S/C12H13F2NO2/c1-6(13)11(16)9-4-3-8(15)5-10(9)12(17)7(2)14/h3-7H,15H2,1-2H3
InChIKeyUFWITUSVYABLOQ-UHFFFAOYSA-N
XLogP2.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.35
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

1-(2-acetyl-4-aminophenyl)-2-methylpropan-1-one
CID 177054609
ethyl 5-amino-2-(2-chloropropanoyl)benzoate
CID 134644200
1-(4-amino-2-sulfanylphenyl)-2-chloropropan-1-one
CID 118804186
1-(4-amino-2-fluorophenyl)ethanone
CID 14621110
bis[1-(4-aminophenyl)ethyl] 4-aminobenzene-1,2-dicarboxylate
CID 68528508
5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide
CID 100638369
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
1-(4-amino-2-fluorophenyl)ethanone;hydrochloride
CID 118817764
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
5-amino-2-(2-chloropropanoyl)benzonitrile
CID 118832387
1-(4-amino-2-bromophenyl)-2-methylsulfonylpropan-1-one
CID 104522560
4-amino-2-(2,3-dihydroxypropanoyl)benzoic acid
CID 22446557

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one?
The IUPAC name of 1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one (CID 57095758) is 1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one.
What is the SMILES notation for 1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one?
The canonical SMILES for 1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one is CC(F)C(=O)c1ccc(N)cc1C(=O)C(C)F.
What is the InChIKey of 1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one?
The InChIKey is UFWITUSVYABLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-6(13)11(16)9-4-3-8(15)5-10(9)12(17)7(2)14/h3-7H,15H2,1-2H3.
What are the key properties of 1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one?
1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one has a molecular weight of 241.24 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(2-fluoropropanoyl)phenyl]-2-fluoropropan-1-one is sourced from PubChem (CID 57095758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).