2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide

C6H11F2NO2 — CID 103513986

IUPAC2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide
SMILESCC(CO)N(C)C(=O)C(F)F
InChIInChI=1S/C6H11F2NO2/c1-4(3-10)9(2)6(11)5(7)8/h4-5,10H,3H2,1-2H3
InChIKeyYTSKOQFCFJGGPV-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.09
Rot. Bonds3

About 2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide

2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide (PubChem CID 103513986) has the molecular formula C6H11F2NO2 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide
PubChem CID103513986
Molecular FormulaC6H11F2NO2
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Name2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide
SMILESCC(CO)N(C)C(=O)C(F)F
InChIInChI=1S/C6H11F2NO2/c1-4(3-10)9(2)6(11)5(7)8/h4-5,10H,3H2,1-2H3
InChIKeyYTSKOQFCFJGGPV-UHFFFAOYSA-N
XLogP0.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The IUPAC name of 2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide (CID 103513986) is 2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide is CC(CO)N(C)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The InChIKey is YTSKOQFCFJGGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-4(3-10)9(2)6(11)5(7)8/h4-5,10H,3H2,1-2H3.
What are the key properties of 2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide has a molecular weight of 167.16 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1-hydroxypropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 103513986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).