4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid

C12H14F3NO4 — CID 175731123

IUPAC4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(O)c1ccc(C(N)=O)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H13NO2.C2HF3O2/c1-10(2,13)8-5-3-7(4-6-8)9(11)12;3-2(4,5)1(6)7/h3-6,13H,1-2H3,(H2,11,12);(H,6,7)
InChIKeyXWYBFCKNYGHSAJ-UHFFFAOYSA-N
MW293.24 g/mol
LogP1.65
Rot. Bonds2

About 4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid

4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid (PubChem CID 175731123) has the molecular formula C12H14F3NO4 and a molecular weight of 293.24 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid
PubChem CID175731123
Molecular FormulaC12H14F3NO4
Molecular Weight293.24 g/mol
Exact Mass293.09
IUPAC Name4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(O)c1ccc(C(N)=O)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H13NO2.C2HF3O2/c1-10(2,13)8-5-3-7(4-6-8)9(11)12;3-2(4,5)1(6)7/h3-6,13H,1-2H3,(H2,11,12);(H,6,7)
InChIKeyXWYBFCKNYGHSAJ-UHFFFAOYSA-N
XLogP1.65
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 23509913
4-[hydroxy(diphenyl)methyl]benzamide
CID 125464922
2-hydroxy-1-[4-(2-hydroxypropan-2-yl)phenyl]-2-methylpropan-1-one
CID 68739045
4-(2-fluoropropan-2-yl)aniline;2,2,2-trifluoroacetic acid
CID 154727835
4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]benzamide
CID 90843045
chloromethane;4-fluorobenzamide
CID 158476805
4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide
CID 159342881
thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118270512
4-tert-butylbenzoic acid;copper
CID 67780260
4-(1-amino-1-hydroxyethyl)benzoic acid
CID 118177730
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
benzamide;trifluoro(methylsulfanyl)methane
CID 167473170

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid (CID 175731123) is 4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid is CC(C)(O)c1ccc(C(N)=O)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is XWYBFCKNYGHSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C2HF3O2/c1-10(2,13)8-5-3-7(4-6-8)9(11)12;3-2(4,5)1(6)7/h3-6,13H,1-2H3,(H2,11,12);(H,6,7).
What are the key properties of 4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid?
4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 293.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175731123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).