2,2,3,3-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide

C9H13F4NO3 — CID 113435075

IUPAC2,2,3,3-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
SMILESO=C(NC1(CO)CCOCC1)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO3/c10-6(11)9(12,13)7(16)14-8(5-15)1-3-17-4-2-8/h6,15H,1-5H2,(H,14,16)
InChIKeyTWPZHWDMVLWPLW-UHFFFAOYSA-N
MW259.20 g/mol
LogP0.54
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide

2,2,3,3-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide (PubChem CID 113435075) has the molecular formula C9H13F4NO3 and a molecular weight of 259.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
PubChem CID113435075
Molecular FormulaC9H13F4NO3
Molecular Weight259.20 g/mol
Exact Mass259.08
IUPAC Name2,2,3,3-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
SMILESO=C(NC1(CO)CCOCC1)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO3/c10-6(11)9(12,13)7(16)14-8(5-15)1-3-17-4-2-8/h6,15H,1-5H2,(H,14,16)
InChIKeyTWPZHWDMVLWPLW-UHFFFAOYSA-N
XLogP0.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 50.54
H-Bond Donors ≤ 52
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-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide (CID 113435075) is 2,2,3,3-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide is O=C(NC1(CO)CCOCC1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The InChIKey is TWPZHWDMVLWPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO3/c10-6(11)9(12,13)7(16)14-8(5-15)1-3-17-4-2-8/h6,15H,1-5H2,(H,14,16).
What are the key properties of 2,2,3,3-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
2,2,3,3-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide has a molecular weight of 259.20 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide is sourced from PubChem (CID 113435075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).