2,4,6-trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide

C11H12F3NO2 — CID 142792702

IUPAC2,4,6-trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)c1c(F)cc(F)c(C(N)=O)c1F
InChIInChI=1S/C11H12F3NO2/c1-11(2,4-16)8-6(13)3-5(12)7(9(8)14)10(15)17/h3,16H,4H2,1-2H3,(H2,15,17)
InChIKeyXLPATSXUNGEBMJ-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.47
Rot. Bonds3

About 2,4,6-trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide

2,4,6-trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 142792702) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,4,6-trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID142792702
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2,4,6-trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)c1c(F)cc(F)c(C(N)=O)c1F
InChIInChI=1S/C11H12F3NO2/c1-11(2,4-16)8-6(13)3-5(12)7(9(8)14)10(15)17/h3,16H,4H2,1-2H3,(H2,15,17)
InChIKeyXLPATSXUNGEBMJ-UHFFFAOYSA-N
XLogP1.47
TPSA63.32 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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 2,4,6-trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 142792702) is 2,4,6-trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 2,4,6-trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 2,4,6-trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)c1c(F)cc(F)c(C(N)=O)c1F.
What is the InChIKey of 2,4,6-trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is XLPATSXUNGEBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-11(2,4-16)8-6(13)3-5(12)7(9(8)14)10(15)17/h3,16H,4H2,1-2H3,(H2,15,17).
What are the key properties of 2,4,6-trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide?
2,4,6-trifluoro-3-(1-hydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 247.22 g/mol, XLogP of 1.47, 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-3-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 142792702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).