2,2,3,3-tetrafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one

C7H9F4NO2 — CID 104920847

IUPAC2,2,3,3-tetrafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one
SMILESO=C(N1CC(CO)C1)C(F)(F)C(F)F
InChIInChI=1S/C7H9F4NO2/c8-5(9)7(10,11)6(14)12-1-4(2-12)3-13/h4-5,13H,1-3H2
InChIKeyYLBRXDQUSQSXSF-UHFFFAOYSA-N
MW215.15 g/mol
LogP0.34
Rot. Bonds3

About 2,2,3,3-tetrafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one

2,2,3,3-tetrafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one (PubChem CID 104920847) has the molecular formula C7H9F4NO2 and a molecular weight of 215.15 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one
PubChem CID104920847
Molecular FormulaC7H9F4NO2
Molecular Weight215.15 g/mol
Exact Mass215.06
IUPAC Name2,2,3,3-tetrafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one
SMILESO=C(N1CC(CO)C1)C(F)(F)C(F)F
InChIInChI=1S/C7H9F4NO2/c8-5(9)7(10,11)6(14)12-1-4(2-12)3-13/h4-5,13H,1-3H2
InChIKeyYLBRXDQUSQSXSF-UHFFFAOYSA-N
XLogP0.34
TPSA40.54 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 ≤ 50.34
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-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one (CID 104920847) is 2,2,3,3-tetrafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one is O=C(N1CC(CO)C1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one?
The InChIKey is YLBRXDQUSQSXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4NO2/c8-5(9)7(10,11)6(14)12-1-4(2-12)3-13/h4-5,13H,1-3H2.
What are the key properties of 2,2,3,3-tetrafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one?
2,2,3,3-tetrafluoro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one has a molecular weight of 215.15 g/mol, XLogP of 0.34, 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-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 104920847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).