2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one

C11H10F5NO — CID 107514954

IUPAC2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCc1ccc(C(=O)C(C)(N)C(F)(F)F)c(F)c1F
InChIInChI=1S/C11H10F5NO/c1-5-3-4-6(8(13)7(5)12)9(18)10(2,17)11(14,15)16/h3-4H,17H2,1-2H3
InChIKeyCLYWUIXBCCAGEG-UHFFFAOYSA-N
MW267.20 g/mol
LogP2.74
Rot. Bonds2

About 2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one

2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one (PubChem CID 107514954) has the molecular formula C11H10F5NO and a molecular weight of 267.20 g/mol. Its IUPAC name is 2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one
PubChem CID107514954
Molecular FormulaC11H10F5NO
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCc1ccc(C(=O)C(C)(N)C(F)(F)F)c(F)c1F
InChIInChI=1S/C11H10F5NO/c1-5-3-4-6(8(13)7(5)12)9(18)10(2,17)11(14,15)16/h3-4H,17H2,1-2H3
InChIKeyCLYWUIXBCCAGEG-UHFFFAOYSA-N
XLogP2.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.74
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
2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 116592956
2-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-one
CID 107514971
(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 107515193
2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 116590511
2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 116592894
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid
CID 82823247
2,3-difluoro-N-methoxy-4-methylbenzamide
CID 168957228
2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one
CID 131035867
3-amino-1-(2,3-difluoro-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 107515023
2,3-difluoro-4-methylbenzenesulfonamide;2,3-difluoro-4-sulfamoylbenzoic acid
CID 167706684

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one (CID 107514954) is 2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one is Cc1ccc(C(=O)C(C)(N)C(F)(F)F)c(F)c1F.
What is the InChIKey of 2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one?
The InChIKey is CLYWUIXBCCAGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO/c1-5-3-4-6(8(13)7(5)12)9(18)10(2,17)11(14,15)16/h3-4H,17H2,1-2H3.
What are the key properties of 2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one?
2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one has a molecular weight of 267.20 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one is sourced from PubChem (CID 107514954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).