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

C4H4F5NO — CID 90064282

IUPAC2,2,3,3,3-pentafluoro-N-methylpropanamide
SMILESCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F5NO/c1-10-2(11)3(5,6)4(7,8)9/h1H3,(H,10,11)
InChIKeyCSZPEWBLUWPQBM-UHFFFAOYSA-N
MW177.07 g/mol
LogP0.93
Rot. Bonds1

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

2,2,3,3,3-pentafluoro-N-methylpropanamide (PubChem CID 90064282) has the molecular formula C4H4F5NO and a molecular weight of 177.07 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-methylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-methylpropanamide
PubChem CID90064282
Molecular FormulaC4H4F5NO
Molecular Weight177.07 g/mol
Exact Mass177.02
IUPAC Name2,2,3,3,3-pentafluoro-N-methylpropanamide
SMILESCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F5NO/c1-10-2(11)3(5,6)4(7,8)9/h1H3,(H,10,11)
InChIKeyCSZPEWBLUWPQBM-UHFFFAOYSA-N
XLogP0.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-methylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-methylpropanamide (CID 90064282) is 2,2,3,3,3-pentafluoro-N-methylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-methylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-methylpropanamide is CNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-methylpropanamide?
The InChIKey is CSZPEWBLUWPQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F5NO/c1-10-2(11)3(5,6)4(7,8)9/h1H3,(H,10,11).
What are the key properties of 2,2,3,3,3-pentafluoro-N-methylpropanamide?
2,2,3,3,3-pentafluoro-N-methylpropanamide has a molecular weight of 177.07 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-methylpropanamide is sourced from PubChem (CID 90064282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).