2,2,3,3-tetrafluoro-N-(oxolan-3-yl)propanamide

C7H9F4NO2 — CID 103839453

IUPAC2,2,3,3-tetrafluoro-N-(oxolan-3-yl)propanamide
SMILESO=C(NC1CCOC1)C(F)(F)C(F)F
InChIInChI=1S/C7H9F4NO2/c8-5(9)7(10,11)6(13)12-4-1-2-14-3-4/h4-5H,1-3H2,(H,12,13)
InChIKeyDTMVLJLVFNOFSN-UHFFFAOYSA-N
MW215.15 g/mol
LogP0.79
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-(oxolan-3-yl)propanamide

2,2,3,3-tetrafluoro-N-(oxolan-3-yl)propanamide (PubChem CID 103839453) has the molecular formula C7H9F4NO2 and a molecular weight of 215.15 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(oxolan-3-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(oxolan-3-yl)propanamide
PubChem CID103839453
Molecular FormulaC7H9F4NO2
Molecular Weight215.15 g/mol
Exact Mass215.06
IUPAC Name2,2,3,3-tetrafluoro-N-(oxolan-3-yl)propanamide
SMILESO=C(NC1CCOC1)C(F)(F)C(F)F
InChIInChI=1S/C7H9F4NO2/c8-5(9)7(10,11)6(13)12-4-1-2-14-3-4/h4-5H,1-3H2,(H,12,13)
InChIKeyDTMVLJLVFNOFSN-UHFFFAOYSA-N
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 50.79
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-(oxolan-3-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(oxolan-3-yl)propanamide (CID 103839453) is 2,2,3,3-tetrafluoro-N-(oxolan-3-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(oxolan-3-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(oxolan-3-yl)propanamide is O=C(NC1CCOC1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(oxolan-3-yl)propanamide?
The InChIKey is DTMVLJLVFNOFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4NO2/c8-5(9)7(10,11)6(13)12-4-1-2-14-3-4/h4-5H,1-3H2,(H,12,13).
What are the key properties of 2,2,3,3-tetrafluoro-N-(oxolan-3-yl)propanamide?
2,2,3,3-tetrafluoro-N-(oxolan-3-yl)propanamide has a molecular weight of 215.15 g/mol, XLogP of 0.79, 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-(oxolan-3-yl)propanamide is sourced from PubChem (CID 103839453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).