2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide

C6H10F3NO2 — CID 123434694

IUPAC2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide
SMILESCC(O)C(CF)NC(=O)C(F)F
InChIInChI=1S/C6H10F3NO2/c1-3(11)4(2-7)10-6(12)5(8)9/h3-5,11H,2H2,1H3,(H,10,12)
InChIKeyVSRFFWLHXPXMAI-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.09
Rot. Bonds4

About 2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide

2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide (PubChem CID 123434694) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide
PubChem CID123434694
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide
SMILESCC(O)C(CF)NC(=O)C(F)F
InChIInChI=1S/C6H10F3NO2/c1-3(11)4(2-7)10-6(12)5(8)9/h3-5,11H,2H2,1H3,(H,10,12)
InChIKeyVSRFFWLHXPXMAI-UHFFFAOYSA-N
XLogP0.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide (CID 123434694) is 2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide is CC(O)C(CF)NC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide?
The InChIKey is VSRFFWLHXPXMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-3(11)4(2-7)10-6(12)5(8)9/h3-5,11H,2H2,1H3,(H,10,12).
What are the key properties of 2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide?
2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide has a molecular weight of 185.14 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1-fluoro-3-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 123434694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).