3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide

C12H14F3NO2 — CID 54913202

IUPAC3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide
SMILESCC(c1ccccc1O)N(C)C(=O)CC(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-8(9-5-3-4-6-10(9)17)16(2)11(18)7-12(13,14)15/h3-6,8,17H,7H2,1-2H3
InChIKeyURBVHLKVLIDGND-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.86
Rot. Bonds3

About 3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide

3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide (PubChem CID 54913202) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide
PubChem CID54913202
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide
SMILESCC(c1ccccc1O)N(C)C(=O)CC(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-8(9-5-3-4-6-10(9)17)16(2)11(18)7-12(13,14)15/h3-6,8,17H,7H2,1-2H3
InChIKeyURBVHLKVLIDGND-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-((Dimethylamino)methyl)phenol
CID 32897
(S)-1-(4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-1(5H)-yl)-2,2-dimethylpropan-1-one
CID 44409718
2-((Diethylamino)methyl)phenol
CID 21092
2-[(Dimethylamino)methyl]-4-fluorophenol
CID 10607220
2,2,2-Trifluoro-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone
CID 127034298
Phenol, 2-((didecylamino)methyl)-
CID 3047162
2-Fluoro-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone
CID 127034567
2-hydroxy-N,N-di(propan-2-yl)benzamide
CID 225364
4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide
CID 66552038
(2-Hydroxyphenyl)methyl-trimethylazanium
CID 46004
2-[(Dimethylamino)methyl]-5-fluorophenol
CID 69676097
2-[(Dibutylamino)methyl]phenol
CID 415198

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide (CID 54913202) is 3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide is CC(c1ccccc1O)N(C)C(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide?
The InChIKey is URBVHLKVLIDGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8(9-5-3-4-6-10(9)17)16(2)11(18)7-12(13,14)15/h3-6,8,17H,7H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide?
3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide has a molecular weight of 261.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 54913202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).