2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one

C10H7F6NO — CID 116593081

IUPAC2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one
SMILESCC(N)(C(=O)c1ccc(F)c(F)c1F)C(F)(F)F
InChIInChI=1S/C10H7F6NO/c1-9(17,10(14,15)16)8(18)4-2-3-5(11)7(13)6(4)12/h2-3H,17H2,1H3
InChIKeyMBEJCHKGVJLFJH-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.57
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one

2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one (PubChem CID 116593081) has the molecular formula C10H7F6NO and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one
PubChem CID116593081
Molecular FormulaC10H7F6NO
Molecular Weight271.16 g/mol
Exact Mass271.04
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one
SMILESCC(N)(C(=O)c1ccc(F)c(F)c1F)C(F)(F)F
InChIInChI=1S/C10H7F6NO/c1-9(17,10(14,15)16)8(18)4-2-3-5(11)7(13)6(4)12/h2-3H,17H2,1H3
InChIKeyMBEJCHKGVJLFJH-UHFFFAOYSA-N
XLogP2.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 107514954
2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 116592956
3-amino-3-methyl-1-(2,3,4-trifluorophenyl)butan-1-one
CID 116581171
2-(diethylamino)-2-ethyl-1-(2,3,4-trifluorophenyl)butan-1-one
CID 79059380
(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone
CID 114971637
2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid
CID 68606169
2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 116592894
2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
2-amino-N-(2,5-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79790386
2-(tert-butylamino)-1-(2,3,4-trifluorophenyl)ethanone
CID 116588949
2-amino-1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 116590314
N-(1-chloro-2-methylbutan-2-yl)-2,3,4-trifluorobenzamide
CID 114303732

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one (CID 116593081) is 2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one is CC(N)(C(=O)c1ccc(F)c(F)c1F)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one?
The InChIKey is MBEJCHKGVJLFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO/c1-9(17,10(14,15)16)8(18)4-2-3-5(11)7(13)6(4)12/h2-3H,17H2,1H3.
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one?
2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one has a molecular weight of 271.16 g/mol, XLogP of 2.57, 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-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one is sourced from PubChem (CID 116593081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).