2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide

C11H12F3NO2 — CID 76624652

IUPAC2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
SMILESO=C(NCCC(O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)10(17)15-7-6-9(16)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2,(H,15,17)
InChIKeyMJOJQSFERQNFAQ-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.79
Rot. Bonds4

About 2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide

2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide (PubChem CID 76624652) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
PubChem CID76624652
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
SMILESO=C(NCCC(O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)10(17)15-7-6-9(16)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2,(H,15,17)
InChIKeyMJOJQSFERQNFAQ-UHFFFAOYSA-N
XLogP1.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 11117946
2,2,2-trifluoro-N-[3-hydroxy-3-(3-iodophenyl)propyl]acetamide;hydroiodide
CID 87084540
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N,N'-bis(3,3-diphenylpropyl)-2,2,3,3-tetrafluorobutanediamide
CID 4162787
N-(2,2-diphenylethyl)-2,2,2-trifluoroacetamide
CID 59644379
N-[3-(3-bromo-4-fluorophenyl)-3-hydroxypropyl]-2,2,2-trifluoroacetamide
CID 86628462
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide
CID 166414439
N-[(3R)-3-(3-butylsulfonylphenyl)-3-hydroxypropyl]-2,2,2-trifluoroacetamide
CID 87519043
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide (CID 76624652) is 2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide is O=C(NCCC(O)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide?
The InChIKey is MJOJQSFERQNFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-11(13,14)10(17)15-7-6-9(16)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2,(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide?
2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide has a molecular weight of 247.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide is sourced from PubChem (CID 76624652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).