2,2,3,3,3-pentafluoro-N-hydroxy-N-methylpropanamide

C4H4F5NO2 — CID 131034510

IUPAC2,2,3,3,3-pentafluoro-N-hydroxy-N-methylpropanamide
SMILESCN(O)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F5NO2/c1-10(12)2(11)3(5,6)4(7,8)9/h12H,1H3
InChIKeyFFDZGECWOYRPLM-UHFFFAOYSA-N
MW193.07 g/mol
LogP1.03
Rot. Bonds1

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

2,2,3,3,3-pentafluoro-N-hydroxy-N-methylpropanamide (PubChem CID 131034510) has the molecular formula C4H4F5NO2 and a molecular weight of 193.07 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-hydroxy-N-methylpropanamide
PubChem CID131034510
Molecular FormulaC4H4F5NO2
Molecular Weight193.07 g/mol
Exact Mass193.02
IUPAC Name2,2,3,3,3-pentafluoro-N-hydroxy-N-methylpropanamide
SMILESCN(O)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F5NO2/c1-10(12)2(11)3(5,6)4(7,8)9/h12H,1H3
InChIKeyFFDZGECWOYRPLM-UHFFFAOYSA-N
XLogP1.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.07
LogP ≤ 51.03
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-hydroxy-N-methylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-hydroxy-N-methylpropanamide (CID 131034510) is 2,2,3,3,3-pentafluoro-N-hydroxy-N-methylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-hydroxy-N-methylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-hydroxy-N-methylpropanamide is CN(O)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-hydroxy-N-methylpropanamide?
The InChIKey is FFDZGECWOYRPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F5NO2/c1-10(12)2(11)3(5,6)4(7,8)9/h12H,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N-hydroxy-N-methylpropanamide?
2,2,3,3,3-pentafluoro-N-hydroxy-N-methylpropanamide has a molecular weight of 193.07 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-hydroxy-N-methylpropanamide is sourced from PubChem (CID 131034510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).