2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide

C10H10F3NO3 — CID 69220886

IUPAC2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
SMILESNC(=O)c1ccccc1OCC(O)C(F)(F)F
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)8(15)5-17-7-4-2-1-3-6(7)9(14)16/h1-4,8,15H,5H2,(H2,14,16)
InChIKeyVTKYIGYUXWDHKA-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.09
Rot. Bonds4

About 2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide

2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide (PubChem CID 69220886) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide.

Molecular Properties

Compound Name2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
PubChem CID69220886
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
SMILESNC(=O)c1ccccc1OCC(O)C(F)(F)F
InChIInChI=1S/C10H10F3NO3/c11-10(12,13)8(15)5-17-7-4-2-1-3-6(7)9(14)16/h1-4,8,15H,5H2,(H2,14,16)
InChIKeyVTKYIGYUXWDHKA-UHFFFAOYSA-N
XLogP1.09
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
CID 86792594
2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide
CID 154452638
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
2-amino-3-(2-carbamoylphenoxy)propanoic acid
CID 65441784
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
2-methyl-3-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 82827437
2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide
CID 43753315
2-[2-(bromomethyl)butoxy]benzamide
CID 64995210
2-(3-amino-2-ethoxypropoxy)benzamide
CID 63069875
2-(2-oxoethoxy)benzamide
CID 21273663
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 107014268

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide?
The IUPAC name of 2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide (CID 69220886) is 2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide.
What is the SMILES notation for 2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide?
The canonical SMILES for 2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide is NC(=O)c1ccccc1OCC(O)C(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide?
The InChIKey is VTKYIGYUXWDHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c11-10(12,13)8(15)5-17-7-4-2-1-3-6(7)9(14)16/h1-4,8,15H,5H2,(H2,14,16).
What are the key properties of 2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide?
2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide has a molecular weight of 249.19 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide is sourced from PubChem (CID 69220886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).