2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide

C4H6F3NO2 — CID 18007367

IUPAC2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide
SMILESO=C(CO)NC(F)(F)CF
InChIInChI=1S/C4H6F3NO2/c5-2-4(6,7)8-3(10)1-9/h9H,1-2H2,(H,8,10)
InChIKeyWKSDLODXGDVFQZ-UHFFFAOYSA-N
MW157.09 g/mol
LogP-0.34
Rot. Bonds3

About 2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide

2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide (PubChem CID 18007367) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is 2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide
PubChem CID18007367
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Name2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide
SMILESO=C(CO)NC(F)(F)CF
InChIInChI=1S/C4H6F3NO2/c5-2-4(6,7)8-3(10)1-9/h9H,1-2H2,(H,8,10)
InChIKeyWKSDLODXGDVFQZ-UHFFFAOYSA-N
XLogP-0.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide?
The IUPAC name of 2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide (CID 18007367) is 2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide is O=C(CO)NC(F)(F)CF.
What is the InChIKey of 2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide?
The InChIKey is WKSDLODXGDVFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c5-2-4(6,7)8-3(10)1-9/h9H,1-2H2,(H,8,10).
What are the key properties of 2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide?
2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide has a molecular weight of 157.09 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1,1,2-trifluoroethyl)acetamide is sourced from PubChem (CID 18007367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).