2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one

C10H9F4NO — CID 116592956

IUPAC2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCC(N)(C(=O)c1ccccc1F)C(F)(F)F
InChIInChI=1S/C10H9F4NO/c1-9(15,10(12,13)14)8(16)6-4-2-3-5-7(6)11/h2-5H,15H2,1H3
InChIKeyGGIHHGNZPJJYCS-UHFFFAOYSA-N
MW235.18 g/mol
LogP2.29
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one

2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one (PubChem CID 116592956) has the molecular formula C10H9F4NO and a molecular weight of 235.18 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one
PubChem CID116592956
Molecular FormulaC10H9F4NO
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Name2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCC(N)(C(=O)c1ccccc1F)C(F)(F)F
InChIInChI=1S/C10H9F4NO/c1-9(15,10(12,13)14)8(16)6-4-2-3-5-7(6)11/h2-5H,15H2,1H3
InChIKeyGGIHHGNZPJJYCS-UHFFFAOYSA-N
XLogP2.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one
CID 116593081
1-(2-fluorophenyl)-2,2-dimethylbutan-1-one
CID 24724047
2,2-difluoro-1-(2-fluorophenyl)butan-1-one
CID 140875241
2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 107514954
2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one
CID 116592907
2-(ethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 116566057
2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide
CID 79810988
2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one
CID 116593132
2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid
CID 68606169
2-amino-3,3,3-trifluoro-N-[2-(2-fluorophenyl)ethyl]-2-methylpropanamide
CID 79797317
2-bromo-1-(2-fluorophenyl)-2-methylsulfonylbutan-1-one
CID 102549912
2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 116592894

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one (CID 116592956) is 2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one is CC(N)(C(=O)c1ccccc1F)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is GGIHHGNZPJJYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO/c1-9(15,10(12,13)14)8(16)6-4-2-3-5-7(6)11/h2-5H,15H2,1H3.
What are the key properties of 2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one?
2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 235.18 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 116592956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).