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

C8H13F2NO3 — CID 107302105

IUPAC2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCC1OCCC1(O)CNC(=O)C(F)F
InChIInChI=1S/C8H13F2NO3/c1-5-8(13,2-3-14-5)4-11-7(12)6(9)10/h5-6,13H,2-4H2,1H3,(H,11,12)
InChIKeyUDVGKAAWYCFLLD-UHFFFAOYSA-N
MW209.19 g/mol
LogP-0.09
Rot. Bonds3

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

2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (PubChem CID 107302105) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
PubChem CID107302105
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCC1OCCC1(O)CNC(=O)C(F)F
InChIInChI=1S/C8H13F2NO3/c1-5-8(13,2-3-14-5)4-11-7(12)6(9)10/h5-6,13H,2-4H2,1H3,(H,11,12)
InChIKeyUDVGKAAWYCFLLD-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (CID 107302105) is 2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is CC1OCCC1(O)CNC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The InChIKey is UDVGKAAWYCFLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-5-8(13,2-3-14-5)4-11-7(12)6(9)10/h5-6,13H,2-4H2,1H3,(H,11,12).
What are the key properties of 2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide has a molecular weight of 209.19 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 107302105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).