2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide

C9H10F5NO2 — CID 114038229

IUPAC2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESO=C(NC1CC2CCC1O2)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F5NO2/c10-8(11,9(12,13)14)7(16)15-5-3-4-1-2-6(5)17-4/h4-6H,1-3H2,(H,15,16)
InChIKeyALHRXPCMXOALKF-UHFFFAOYSA-N
MW259.17 g/mol
LogP1.62
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide

2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (PubChem CID 114038229) has the molecular formula C9H10F5NO2 and a molecular weight of 259.17 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
PubChem CID114038229
Molecular FormulaC9H10F5NO2
Molecular Weight259.17 g/mol
Exact Mass259.06
IUPAC Name2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESO=C(NC1CC2CCC1O2)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F5NO2/c10-8(11,9(12,13)14)7(16)15-5-3-4-1-2-6(5)17-4/h4-6H,1-3H2,(H,15,16)
InChIKeyALHRXPCMXOALKF-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 51.62
H-Bond Donors ≤ 51
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 2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (CID 114038229) is 2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is O=C(NC1CC2CCC1O2)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The InChIKey is ALHRXPCMXOALKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F5NO2/c10-8(11,9(12,13)14)7(16)15-5-3-4-1-2-6(5)17-4/h4-6H,1-3H2,(H,15,16).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
2,2,3,3,3-pentafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide has a molecular weight of 259.17 g/mol, XLogP of 1.62, 2 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-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is sourced from PubChem (CID 114038229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).