3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide

C9H8F3NO2 — CID 10220069

IUPAC3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide
SMILESNC(=O)C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)8(15,7(13)14)6-4-2-1-3-5-6/h1-5,15H,(H2,13,14)
InChIKeyKCCGYHFRRRMLAU-UHFFFAOYSA-N
MW219.16 g/mol
LogP0.92
Rot. Bonds2

About 3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide

3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide (PubChem CID 10220069) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide
PubChem CID10220069
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide
SMILESNC(=O)C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)8(15,7(13)14)6-4-2-1-3-5-6/h1-5,15H,(H2,13,14)
InChIKeyKCCGYHFRRRMLAU-UHFFFAOYSA-N
XLogP0.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 78483
CID 78483
CID 64814
CID 64814
CID 95968
CID 95968
CID 86230
CID 86230
CID 73558
CID 73558
CID 16235
CID 16235
CID 128930
CID 128930
CID 441254
CID 441254
CID 10131164
CID 10131164
CID 96551
CID 96551
CID 101230
CID 101230
CID 10171492
CID 10171492

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide (CID 10220069) is 3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide is NC(=O)C(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide?
The InChIKey is KCCGYHFRRRMLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-9(11,12)8(15,7(13)14)6-4-2-1-3-5-6/h1-5,15H,(H2,13,14).
What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide?
3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide has a molecular weight of 219.16 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide is sourced from PubChem (CID 10220069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).