2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide

C6H8F3NO3 — CID 131065001

IUPAC2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide
SMILESO=C(NC1COCC1O)C(F)(F)F
InChIInChI=1S/C6H8F3NO3/c7-6(8,9)5(12)10-3-1-13-2-4(3)11/h3-4,11H,1-2H2,(H,10,12)
InChIKeyGGLMXOGVOGZDEG-UHFFFAOYSA-N
MW199.13 g/mol
LogP-0.58
Rot. Bonds1

About 2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide

2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide (PubChem CID 131065001) has the molecular formula C6H8F3NO3 and a molecular weight of 199.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide
PubChem CID131065001
Molecular FormulaC6H8F3NO3
Molecular Weight199.13 g/mol
Exact Mass199.05
IUPAC Name2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide
SMILESO=C(NC1COCC1O)C(F)(F)F
InChIInChI=1S/C6H8F3NO3/c7-6(8,9)5(12)10-3-1-13-2-4(3)11/h3-4,11H,1-2H2,(H,10,12)
InChIKeyGGLMXOGVOGZDEG-UHFFFAOYSA-N
XLogP-0.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide (CID 131065001) is 2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide is O=C(NC1COCC1O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide?
The InChIKey is GGLMXOGVOGZDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3/c7-6(8,9)5(12)10-3-1-13-2-4(3)11/h3-4,11H,1-2H2,(H,10,12).
What are the key properties of 2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide?
2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide has a molecular weight of 199.13 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-hydroxyoxolan-3-yl)acetamide is sourced from PubChem (CID 131065001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).