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

C8H13F2NO3 — CID 103516030

IUPAC2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
SMILESCOC1(CNC(=O)C(F)F)CCOC1
InChIInChI=1S/C8H13F2NO3/c1-13-8(2-3-14-5-8)4-11-7(12)6(9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeyURIHTKWAWDQLHJ-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.17
Rot. Bonds4

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

2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide (PubChem CID 103516030) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
PubChem CID103516030
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
SMILESCOC1(CNC(=O)C(F)F)CCOC1
InChIInChI=1S/C8H13F2NO3/c1-13-8(2-3-14-5-8)4-11-7(12)6(9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeyURIHTKWAWDQLHJ-UHFFFAOYSA-N
XLogP0.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide (CID 103516030) is 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide is COC1(CNC(=O)C(F)F)CCOC1.
What is the InChIKey of 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
The InChIKey is URIHTKWAWDQLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-13-8(2-3-14-5-8)4-11-7(12)6(9)10/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide?
2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide has a molecular weight of 209.19 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 103516030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).