N-ethyl-2,2-difluoro-N-hydroxypropanamide

C5H9F2NO2 — CID 88626311

IUPACN-ethyl-2,2-difluoro-N-hydroxypropanamide
SMILESCCN(O)C(=O)C(C)(F)F
InChIInChI=1S/C5H9F2NO2/c1-3-8(10)4(9)5(2,6)7/h10H,3H2,1-2H3
InChIKeyVDRDAHGYLHVGTB-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.88
Rot. Bonds2

About N-ethyl-2,2-difluoro-N-hydroxypropanamide

N-ethyl-2,2-difluoro-N-hydroxypropanamide (PubChem CID 88626311) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-N-hydroxypropanamide.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-N-hydroxypropanamide
PubChem CID88626311
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC NameN-ethyl-2,2-difluoro-N-hydroxypropanamide
SMILESCCN(O)C(=O)C(C)(F)F
InChIInChI=1S/C5H9F2NO2/c1-3-8(10)4(9)5(2,6)7/h10H,3H2,1-2H3
InChIKeyVDRDAHGYLHVGTB-UHFFFAOYSA-N
XLogP0.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.88
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-N-hydroxypropanamide?
The IUPAC name of N-ethyl-2,2-difluoro-N-hydroxypropanamide (CID 88626311) is N-ethyl-2,2-difluoro-N-hydroxypropanamide.
What is the SMILES notation for N-ethyl-2,2-difluoro-N-hydroxypropanamide?
The canonical SMILES for N-ethyl-2,2-difluoro-N-hydroxypropanamide is CCN(O)C(=O)C(C)(F)F.
What is the InChIKey of N-ethyl-2,2-difluoro-N-hydroxypropanamide?
The InChIKey is VDRDAHGYLHVGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-3-8(10)4(9)5(2,6)7/h10H,3H2,1-2H3.
What are the key properties of N-ethyl-2,2-difluoro-N-hydroxypropanamide?
N-ethyl-2,2-difluoro-N-hydroxypropanamide has a molecular weight of 153.13 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-N-hydroxypropanamide is sourced from PubChem (CID 88626311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).