2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one

C11H13F2NO2 — CID 66790366

IUPAC2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one
SMILESCC(N)(COC(F)F)C(=O)c1ccccc1
InChIInChI=1S/C11H13F2NO2/c1-11(14,7-16-10(12)13)9(15)8-5-3-2-4-6-8/h2-6,10H,7,14H2,1H3
InChIKeyWUFWEXAXTGAGKU-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.83
Rot. Bonds5

About 2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one

2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one (PubChem CID 66790366) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one
PubChem CID66790366
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one
SMILESCC(N)(COC(F)F)C(=O)c1ccccc1
InChIInChI=1S/C11H13F2NO2/c1-11(14,7-16-10(12)13)9(15)8-5-3-2-4-6-8/h2-6,10H,7,14H2,1H3
InChIKeyWUFWEXAXTGAGKU-UHFFFAOYSA-N
XLogP1.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one
CID 19878495
tert-butyl 2-benzoyl-3,3,3-trifluoropropanoate
CID 15001701
methyl 2-amino-2-hydroxy-3-oxo-3-phenylpropanoate
CID 70380510
methyl 4,4-difluoro-2-iodo-5-oxo-5-phenylpentanoate
CID 10666693
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
3-amino-2-ethyl-3-methyl-1-phenylbutan-1-one
CID 23620918
2-fluoro-1-phenylhexan-1-one
CID 165359070
methyl 3,3-dimethyl-4-oxo-4-phenylbutanoate
CID 57437539
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
[2-(difluoromethoxy)ethylamino] benzoate
CID 163530382
methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate
CID 82353260
N-(2-hydroxy-2-methylpropoxy)benzamide
CID 87971931

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one (CID 66790366) is 2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one is CC(N)(COC(F)F)C(=O)c1ccccc1.
What is the InChIKey of 2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one?
The InChIKey is WUFWEXAXTGAGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-11(14,7-16-10(12)13)9(15)8-5-3-2-4-6-8/h2-6,10H,7,14H2,1H3.
What are the key properties of 2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one?
2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one has a molecular weight of 229.23 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(difluoromethoxy)-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 66790366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).