2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

C11H12F3NO2 — CID 65100569

IUPAC2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H12F3NO2/c1-11(2,5-16)15-10(17)9-7(13)3-6(12)4-8(9)14/h3-4,16H,5H2,1-2H3,(H,15,17)
InChIKeyFOBZPPLCIOPTGD-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.60
Rot. Bonds3

About 2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 65100569) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID65100569
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H12F3NO2/c1-11(2,5-16)15-10(17)9-7(13)3-6(12)4-8(9)14/h3-4,16H,5H2,1-2H3,(H,15,17)
InChIKeyFOBZPPLCIOPTGD-UHFFFAOYSA-N
XLogP1.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite
CID 142805040
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide
CID 107845997
2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 107866560
3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390562
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide
CID 114308125
N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide
CID 65098822
2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 114559568
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide
CID 103843286
4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 82771628
4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 62679848
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944773

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 65100569) is 2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is FOBZPPLCIOPTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-11(2,5-16)15-10(17)9-7(13)3-6(12)4-8(9)14/h3-4,16H,5H2,1-2H3,(H,15,17).
What are the key properties of 2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 247.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 65100569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).