2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one

C10H11F2NO — CID 84668702

IUPAC2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one
SMILESCC(N)C(=O)c1ccccc1C(F)F
InChIInChI=1S/C10H11F2NO/c1-6(13)9(14)7-4-2-3-5-8(7)10(11)12/h2-6,10H,13H2,1H3
InChIKeyMGUUHLGBUXXUDT-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.15
Rot. Bonds3

About 2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one

2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one (PubChem CID 84668702) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one
PubChem CID84668702
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one
SMILESCC(N)C(=O)c1ccccc1C(F)F
InChIInChI=1S/C10H11F2NO/c1-6(13)9(14)7-4-2-3-5-8(7)10(11)12/h2-6,10H,13H2,1H3
InChIKeyMGUUHLGBUXXUDT-UHFFFAOYSA-N
XLogP2.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one
CID 84666194
2-amino-1-[2-(difluoromethyl)-5-methylphenyl]propan-1-one
CID 84679608
(2S)-2-amino-1-(2-sulfanylphenyl)propan-1-one
CID 91120134
benzyl 2-[2-[(2S)-2-aminopropanoyl]phenyl]-2-hydroxyacetate
CID 70475710
2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 157105936
2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one
CID 84688472
2-amino-1-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-one
CID 84679562
ethyl 2-[2-(difluoromethyl)phenyl]-2-oxoacetate
CID 91658528
2-bromo-1-[2-(difluoromethyl)phenyl]ethanone
CID 177183939
2-amino-1-(3-ethyl-2-hydroxyphenyl)propan-1-one
CID 84664766
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
2-amino-1-(3-hydroxy-2-methylphenyl)propan-1-one
CID 83827997

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one?
The IUPAC name of 2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one (CID 84668702) is 2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one is CC(N)C(=O)c1ccccc1C(F)F.
What is the InChIKey of 2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one?
The InChIKey is MGUUHLGBUXXUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-6(13)9(14)7-4-2-3-5-8(7)10(11)12/h2-6,10H,13H2,1H3.
What are the key properties of 2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one?
2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one has a molecular weight of 199.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 84668702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).