3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one

C11H12F3NO2 — CID 116592903

IUPAC3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one
SMILESCC(N)(C(=O)Cc1cccc(O)c1)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-10(15,11(12,13)14)9(17)6-7-3-2-4-8(16)5-7/h2-5,16H,6,15H2,1H3
InChIKeyPLYYXGKHTMTDPO-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.78
Rot. Bonds3

About 3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one

3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one (PubChem CID 116592903) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one
PubChem CID116592903
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one
SMILESCC(N)(C(=O)Cc1cccc(O)c1)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-10(15,11(12,13)14)9(17)6-7-3-2-4-8(16)5-7/h2-5,16H,6,15H2,1H3
InChIKeyPLYYXGKHTMTDPO-UHFFFAOYSA-N
XLogP1.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-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

3-(aminomethyl)-1-(3-hydroxyphenyl)-3-methylpentan-2-one
CID 116610789
3-amino-1-(2,6-dimethylphenyl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592982
3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592914
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid;hydrate
CID 2729001
2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide
CID 107734887
3-fluoro-3-methyl-1-(3-methylphenyl)butan-2-one
CID 130562184
3-(3-amino-3-methylbutyl)phenol
CID 19863682
N-(1-amino-2-methylbutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 64548850
1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 116577080
1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one
CID 24726859
N-ethoxy-2-(3-hydroxyphenyl)acetamide
CID 62039263

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one?
The IUPAC name of 3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one (CID 116592903) is 3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one.
What is the SMILES notation for 3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one?
The canonical SMILES for 3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one is CC(N)(C(=O)Cc1cccc(O)c1)C(F)(F)F.
What is the InChIKey of 3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one?
The InChIKey is PLYYXGKHTMTDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-10(15,11(12,13)14)9(17)6-7-3-2-4-8(16)5-7/h2-5,16H,6,15H2,1H3.
What are the key properties of 3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one?
3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one has a molecular weight of 247.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one is sourced from PubChem (CID 116592903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).