2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide

C12H14F3NO3 — CID 107866560

IUPAC2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
SMILESCCC(CO)(CO)NC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H14F3NO3/c1-2-12(5-17,6-18)16-11(19)10-8(14)3-7(13)4-9(10)15/h3-4,17-18H,2,5-6H2,1H3,(H,16,19)
InChIKeyGDXFTVQOAZEZKE-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.97
Rot. Bonds5

About 2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide

2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide (PubChem CID 107866560) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
PubChem CID107866560
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
SMILESCCC(CO)(CO)NC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H14F3NO3/c1-2-12(5-17,6-18)16-11(19)10-8(14)3-7(13)4-9(10)15/h3-4,17-18H,2,5-6H2,1H3,(H,16,19)
InChIKeyGDXFTVQOAZEZKE-UHFFFAOYSA-N
XLogP0.97
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide
CID 107845997
2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide
CID 103843286
N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide
CID 65098822
3-amino-2,6-difluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 79772754
4-chloro-2,5-difluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 82773237
3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide
CID 62517240
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 62521942
2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-4-carboxamide
CID 62517986
2,4-difluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-nitrobenzamide
CID 107866615
5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 113435003

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide?
The IUPAC name of 2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide (CID 107866560) is 2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide is CCC(CO)(CO)NC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide?
The InChIKey is GDXFTVQOAZEZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-2-12(5-17,6-18)16-11(19)10-8(14)3-7(13)4-9(10)15/h3-4,17-18H,2,5-6H2,1H3,(H,16,19).
What are the key properties of 2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide?
2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide has a molecular weight of 277.24 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide is sourced from PubChem (CID 107866560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).