2,2-difluoro-N-hydroxypropanamide

C3H5F2NO2 — CID 130495228

IUPAC2,2-difluoro-N-hydroxypropanamide
SMILESCC(F)(F)C(=O)NO
InChIInChI=1S/C3H5F2NO2/c1-3(4,5)2(7)6-8/h8H,1H3,(H,6,7)
InChIKeyWQSRGDNAPKRXBP-UHFFFAOYSA-N
MW125.07 g/mol
LogP0.15
Rot. Bonds1

About 2,2-difluoro-N-hydroxypropanamide

2,2-difluoro-N-hydroxypropanamide (PubChem CID 130495228) has the molecular formula C3H5F2NO2 and a molecular weight of 125.07 g/mol. Its IUPAC name is 2,2-difluoro-N-hydroxypropanamide.

Molecular Properties

Compound Name2,2-difluoro-N-hydroxypropanamide
PubChem CID130495228
Molecular FormulaC3H5F2NO2
Molecular Weight125.07 g/mol
Exact Mass125.03
IUPAC Name2,2-difluoro-N-hydroxypropanamide
SMILESCC(F)(F)C(=O)NO
InChIInChI=1S/C3H5F2NO2/c1-3(4,5)2(7)6-8/h8H,1H3,(H,6,7)
InChIKeyWQSRGDNAPKRXBP-UHFFFAOYSA-N
XLogP0.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.07
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N-hydroxy-2-methylpropanamide
CID 22287384
3,3,3-trifluoro-N-hydroxypropanamide
CID 24695716
N-(difluoromethoxy)propanamide
CID 87581787
2-fluoro-N-hydroxypropanamide
CID 88277854
3-fluoro-N-hydroxypropanamide
CID 89974463
3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide
CID 130676772
N-(trifluoromethoxy)propanamide
CID 137366054
N-(trifluoromethoxy)acetamide
CID 145063070
3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide
CID 166757052
3,3,3-trifluoro-N-methoxypropanamide
CID 60731334
2,2-difluoro-N-methoxypropanamide
CID 71302388
2,2,3,3-tetrafluoro-N-methoxypropanamide
CID 103732493

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-hydroxypropanamide?
The IUPAC name of 2,2-difluoro-N-hydroxypropanamide (CID 130495228) is 2,2-difluoro-N-hydroxypropanamide.
What is the SMILES notation for 2,2-difluoro-N-hydroxypropanamide?
The canonical SMILES for 2,2-difluoro-N-hydroxypropanamide is CC(F)(F)C(=O)NO.
What is the InChIKey of 2,2-difluoro-N-hydroxypropanamide?
The InChIKey is WQSRGDNAPKRXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2NO2/c1-3(4,5)2(7)6-8/h8H,1H3,(H,6,7).
What are the key properties of 2,2-difluoro-N-hydroxypropanamide?
2,2-difluoro-N-hydroxypropanamide has a molecular weight of 125.07 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-hydroxypropanamide is sourced from PubChem (CID 130495228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).