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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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).