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

C9H11F4NO2 — CID 103760523

IUPAC2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESO=C(NC1CC2CCC1O2)C(F)(F)C(F)F
InChIInChI=1S/C9H11F4NO2/c10-7(11)9(12,13)8(15)14-5-3-4-1-2-6(5)16-4/h4-7H,1-3H2,(H,14,15)
InChIKeyWMNPNRYOGUBLKP-UHFFFAOYSA-N
MW241.18 g/mol
LogP1.32
Rot. Bonds3

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

2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (PubChem CID 103760523) has the molecular formula C9H11F4NO2 and a molecular weight of 241.18 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
PubChem CID103760523
Molecular FormulaC9H11F4NO2
Molecular Weight241.18 g/mol
Exact Mass241.07
IUPAC Name2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESO=C(NC1CC2CCC1O2)C(F)(F)C(F)F
InChIInChI=1S/C9H11F4NO2/c10-7(11)9(12,13)8(15)14-5-3-4-1-2-6(5)16-4/h4-7H,1-3H2,(H,14,15)
InChIKeyWMNPNRYOGUBLKP-UHFFFAOYSA-N
XLogP1.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 51.32
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-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (CID 103760523) is 2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is O=C(NC1CC2CCC1O2)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The InChIKey is WMNPNRYOGUBLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NO2/c10-7(11)9(12,13)8(15)14-5-3-4-1-2-6(5)16-4/h4-7H,1-3H2,(H,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide has a molecular weight of 241.18 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is sourced from PubChem (CID 103760523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).