2,2-difluoro-3-hydroxy-N-methylpropanamide

C4H7F2NO2 — CID 55299334

IUPAC2,2-difluoro-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(F)(F)CO
InChIInChI=1S/C4H7F2NO2/c1-7-3(9)4(5,6)2-8/h8H,2H2,1H3,(H,7,9)
InChIKeyJUNCZHOIGIGIQP-UHFFFAOYSA-N
MW139.10 g/mol
LogP-0.64
Rot. Bonds2

About 2,2-difluoro-3-hydroxy-N-methylpropanamide

2,2-difluoro-3-hydroxy-N-methylpropanamide (PubChem CID 55299334) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-N-methylpropanamide
PubChem CID55299334
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC Name2,2-difluoro-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(F)(F)CO
InChIInChI=1S/C4H7F2NO2/c1-7-3(9)4(5,6)2-8/h8H,2H2,1H3,(H,7,9)
InChIKeyJUNCZHOIGIGIQP-UHFFFAOYSA-N
XLogP-0.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-N-methylpropanamide?
The IUPAC name of 2,2-difluoro-3-hydroxy-N-methylpropanamide (CID 55299334) is 2,2-difluoro-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-N-methylpropanamide?
The canonical SMILES for 2,2-difluoro-3-hydroxy-N-methylpropanamide is CNC(=O)C(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-hydroxy-N-methylpropanamide?
The InChIKey is JUNCZHOIGIGIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2/c1-7-3(9)4(5,6)2-8/h8H,2H2,1H3,(H,7,9).
What are the key properties of 2,2-difluoro-3-hydroxy-N-methylpropanamide?
2,2-difluoro-3-hydroxy-N-methylpropanamide has a molecular weight of 139.10 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 55299334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).