2,2-difluoro-2-(oxan-3-yl)acetamide

C7H11F2NO2 — CID 115015306

IUPAC2,2-difluoro-2-(oxan-3-yl)acetamide
SMILESNC(=O)C(F)(F)C1CCCOC1
InChIInChI=1S/C7H11F2NO2/c8-7(9,6(10)11)5-2-1-3-12-4-5/h5H,1-4H2,(H2,10,11)
InChIKeyIPTSTJOTZIITPI-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.53
Rot. Bonds2

About 2,2-difluoro-2-(oxan-3-yl)acetamide

2,2-difluoro-2-(oxan-3-yl)acetamide (PubChem CID 115015306) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2,2-difluoro-2-(oxan-3-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(oxan-3-yl)acetamide
PubChem CID115015306
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2,2-difluoro-2-(oxan-3-yl)acetamide
SMILESNC(=O)C(F)(F)C1CCCOC1
InChIInChI=1S/C7H11F2NO2/c8-7(9,6(10)11)5-2-1-3-12-4-5/h5H,1-4H2,(H2,10,11)
InChIKeyIPTSTJOTZIITPI-UHFFFAOYSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(oxan-3-yl)acetamide?
The IUPAC name of 2,2-difluoro-2-(oxan-3-yl)acetamide (CID 115015306) is 2,2-difluoro-2-(oxan-3-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-2-(oxan-3-yl)acetamide?
The canonical SMILES for 2,2-difluoro-2-(oxan-3-yl)acetamide is NC(=O)C(F)(F)C1CCCOC1.
What is the InChIKey of 2,2-difluoro-2-(oxan-3-yl)acetamide?
The InChIKey is IPTSTJOTZIITPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-7(9,6(10)11)5-2-1-3-12-4-5/h5H,1-4H2,(H2,10,11).
What are the key properties of 2,2-difluoro-2-(oxan-3-yl)acetamide?
2,2-difluoro-2-(oxan-3-yl)acetamide has a molecular weight of 179.17 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(oxan-3-yl)acetamide is sourced from PubChem (CID 115015306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).