2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide

C5H8F3NO2 — CID 57278446

IUPAC2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(O)C(=O)NCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(10)4(11)9-2-5(6,7)8/h3,10H,2H2,1H3,(H,9,11)
InChIKeyVGGRSBCXGWLOEZ-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.05
Rot. Bonds2

About 2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide

2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 57278446) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID57278446
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(O)C(=O)NCC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-3(10)4(11)9-2-5(6,7)8/h3,10H,2H2,1H3,(H,9,11)
InChIKeyVGGRSBCXGWLOEZ-UHFFFAOYSA-N
XLogP0.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide (CID 57278446) is 2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide is CC(O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is VGGRSBCXGWLOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-3(10)4(11)9-2-5(6,7)8/h3,10H,2H2,1H3,(H,9,11).
What are the key properties of 2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide?
2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 171.12 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 57278446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).