2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide

C6H8F5NO2 — CID 135232904

IUPAC2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide
SMILESCC(O)C(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO2/c1-3(13)4(14)12-2-5(7,8)6(9,10)11/h3,13H,2H2,1H3,(H,12,14)
InChIKeyWILHGPKXGQPJRB-UHFFFAOYSA-N
MW221.12 g/mol
LogP0.68
Rot. Bonds3

About 2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide

2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide (PubChem CID 135232904) has the molecular formula C6H8F5NO2 and a molecular weight of 221.12 g/mol. Its IUPAC name is 2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide.

Molecular Properties

Compound Name2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide
PubChem CID135232904
Molecular FormulaC6H8F5NO2
Molecular Weight221.12 g/mol
Exact Mass221.05
IUPAC Name2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide
SMILESCC(O)C(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO2/c1-3(13)4(14)12-2-5(7,8)6(9,10)11/h3,13H,2H2,1H3,(H,12,14)
InChIKeyWILHGPKXGQPJRB-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide?
The IUPAC name of 2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide (CID 135232904) is 2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide.
What is the SMILES notation for 2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide?
The canonical SMILES for 2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide is CC(O)C(=O)NCC(F)(F)C(F)(F)F.
What is the InChIKey of 2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide?
The InChIKey is WILHGPKXGQPJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO2/c1-3(13)4(14)12-2-5(7,8)6(9,10)11/h3,13H,2H2,1H3,(H,12,14).
What are the key properties of 2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide?
2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide has a molecular weight of 221.12 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2,2,3,3,3-pentafluoropropyl)propanamide is sourced from PubChem (CID 135232904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).