2,2,3,3,3-pentafluoro-N-(2-oxooxolan-3-yl)propanamide

C7H6F5NO3 — CID 88903143

IUPAC2,2,3,3,3-pentafluoro-N-(2-oxooxolan-3-yl)propanamide
SMILESO=C1OCCC1NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F5NO3/c8-6(9,7(10,11)12)5(15)13-3-1-2-16-4(3)14/h3H,1-2H2,(H,13,15)
InChIKeyRNSQINXUQVPRPY-UHFFFAOYSA-N
MW247.12 g/mol
LogP0.62
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-N-(2-oxooxolan-3-yl)propanamide

2,2,3,3,3-pentafluoro-N-(2-oxooxolan-3-yl)propanamide (PubChem CID 88903143) has the molecular formula C7H6F5NO3 and a molecular weight of 247.12 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(2-oxooxolan-3-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(2-oxooxolan-3-yl)propanamide
PubChem CID88903143
Molecular FormulaC7H6F5NO3
Molecular Weight247.12 g/mol
Exact Mass247.03
IUPAC Name2,2,3,3,3-pentafluoro-N-(2-oxooxolan-3-yl)propanamide
SMILESO=C1OCCC1NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F5NO3/c8-6(9,7(10,11)12)5(15)13-3-1-2-16-4(3)14/h3H,1-2H2,(H,13,15)
InChIKeyRNSQINXUQVPRPY-UHFFFAOYSA-N
XLogP0.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-oxooxolan-3-yl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-oxooxolan-3-yl)propanamide (CID 88903143) is 2,2,3,3,3-pentafluoro-N-(2-oxooxolan-3-yl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(2-oxooxolan-3-yl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(2-oxooxolan-3-yl)propanamide is O=C1OCCC1NC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(2-oxooxolan-3-yl)propanamide?
The InChIKey is RNSQINXUQVPRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F5NO3/c8-6(9,7(10,11)12)5(15)13-3-1-2-16-4(3)14/h3H,1-2H2,(H,13,15).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(2-oxooxolan-3-yl)propanamide?
2,2,3,3,3-pentafluoro-N-(2-oxooxolan-3-yl)propanamide has a molecular weight of 247.12 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(2-oxooxolan-3-yl)propanamide is sourced from PubChem (CID 88903143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).