2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide

C8H12F3NO3 — CID 104709202

IUPAC2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
SMILESCOC1(CNC(=O)C(F)(F)F)CCOC1
InChIInChI=1S/C8H12F3NO3/c1-14-7(2-3-15-5-7)4-12-6(13)8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeyRAGJOBWAWODUED-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.47
Rot. Bonds3

About 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide

2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide (PubChem CID 104709202) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
PubChem CID104709202
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
SMILESCOC1(CNC(=O)C(F)(F)F)CCOC1
InChIInChI=1S/C8H12F3NO3/c1-14-7(2-3-15-5-7)4-12-6(13)8(9,10)11/h2-5H2,1H3,(H,12,13)
InChIKeyRAGJOBWAWODUED-UHFFFAOYSA-N
XLogP0.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide (CID 104709202) is 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide is COC1(CNC(=O)C(F)(F)F)CCOC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
The InChIKey is RAGJOBWAWODUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-14-7(2-3-15-5-7)4-12-6(13)8(9,10)11/h2-5H2,1H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide has a molecular weight of 227.18 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 104709202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).