3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide

C5H9F2NO2 — CID 130676772

IUPAC3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)NO)C(F)F
InChIInChI=1S/C5H9F2NO2/c1-5(2,3(6)7)4(9)8-10/h3,10H,1-2H3,(H,8,9)
InChIKeyZXOMXOKSEMGIKE-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.78
Rot. Bonds2

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

3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide (PubChem CID 130676772) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is 3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide
PubChem CID130676772
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)NO)C(F)F
InChIInChI=1S/C5H9F2NO2/c1-5(2,3(6)7)4(9)8-10/h3,10H,1-2H3,(H,8,9)
InChIKeyZXOMXOKSEMGIKE-UHFFFAOYSA-N
XLogP0.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.78
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

N-hydroxy-2,2-dimethylpropanamide
CID 303148
3,3,3-trifluoro-N-hydroxy-2-methylpropanamide
CID 22287384
2-fluoro-N-hydroxy-2-methylpropanamide
CID 123296059
N-(trifluoromethoxy)propanamide
CID 137366054
2,2-dimethyl-N-(trifluoromethoxy)propanamide
CID 140367301
3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide
CID 166757052
2,2-difluoro-N-methoxypropanamide
CID 71302388
2,2-dimethyl-N-(2,2,2-trifluoroethoxy)propanamide
CID 81339925
3,3,3-trifluoro-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82724610
2,2,2-trifluoro-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82725796
2,2,3,3-tetrafluoro-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 108059442
2,2,3,3,3-pentafluoro-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 108095425

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide?
The IUPAC name of 3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide (CID 130676772) is 3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide.
What is the SMILES notation for 3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide?
The canonical SMILES for 3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide is CC(C)(C(=O)NO)C(F)F.
What is the InChIKey of 3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide?
The InChIKey is ZXOMXOKSEMGIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-5(2,3(6)7)4(9)8-10/h3,10H,1-2H3,(H,8,9).
What are the key properties of 3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide?
3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide has a molecular weight of 153.13 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide is sourced from PubChem (CID 130676772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).