1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone

C10H10F3NO2 — CID 84696388

IUPAC1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C10H10F3NO2/c1-14-5-9(16)7-3-2-6(4-8(7)15)10(11,12)13/h2-4,14-15H,5H2,1H3
InChIKeyXHZGZVICNLAWTN-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.81
Rot. Bonds3

About 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone

1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone (PubChem CID 84696388) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
PubChem CID84696388
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C10H10F3NO2/c1-14-5-9(16)7-3-2-6(4-8(7)15)10(11,12)13/h2-4,14-15H,5H2,1H3
InChIKeyXHZGZVICNLAWTN-UHFFFAOYSA-N
XLogP1.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone
CID 82493915
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117108344
1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
3-(methylamino)-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 102756704
1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone
CID 84688474
1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone
CID 82601575
2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone
CID 84709123
cyclopropyl-[2-hydroxy-4-(trifluoromethyl)phenyl]methanone
CID 82262955
2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone
CID 146409402
2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol
CID 162619024
N-(3-chloro-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide
CID 167685587
1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
CID 82600157

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone (CID 84696388) is 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone?
The InChIKey is XHZGZVICNLAWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-14-5-9(16)7-3-2-6(4-8(7)15)10(11,12)13/h2-4,14-15H,5H2,1H3.
What are the key properties of 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone?
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone has a molecular weight of 233.19 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 84696388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).