2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide

C11H12F3NO2 — CID 24874358

IUPAC2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCC(O)(C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-2-10(17,9(15)16)7-4-3-5-8(6-7)11(12,13)14/h3-6,17H,2H2,1H3,(H2,15,16)
InChIKeyHRCUXPGPKHCNEE-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.79
Rot. Bonds3

About 2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide

2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 24874358) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID24874358
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCC(O)(C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-2-10(17,9(15)16)7-4-3-5-8(6-7)11(12,13)14/h3-6,17H,2H2,1H3,(H2,15,16)
InChIKeyHRCUXPGPKHCNEE-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Mandelamide
CID 73558
Atrolactamide
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gamma-Hydroxy-gamma-ethyl-gamma-phenylbutyramide
CID 128930
(R)-Mandelamide
CID 441254
2-Hydroxy-2-phenylnonanamide
CID 10131164
N-Methylbenzilamide
CID 101230
2-(4-Bromophenyl)-2-hydroxybutanamide
CID 10171492
2-Hydroxy-2-phenylundecanamide
CID 12336498
2-Hydroxy-2-phenylpentanamide
CID 5143691

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide (CID 24874358) is 2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide is CCC(O)(C(N)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is HRCUXPGPKHCNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-2-10(17,9(15)16)7-4-3-5-8(6-7)11(12,13)14/h3-6,17H,2H2,1H3,(H2,15,16).
What are the key properties of 2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide?
2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 247.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 24874358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).