3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol

C6H9F4NO — CID 130902464

IUPAC3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol
SMILESOC1(CC(F)(F)C(F)F)CNC1
InChIInChI=1S/C6H9F4NO/c7-4(8)6(9,10)1-5(12)2-11-3-5/h4,11-12H,1-3H2
InChIKeyRKUXVNNSLITUOR-UHFFFAOYSA-N
MW187.14 g/mol
LogP0.61
Rot. Bonds3

About 3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol

3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol (PubChem CID 130902464) has the molecular formula C6H9F4NO and a molecular weight of 187.14 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol
PubChem CID130902464
Molecular FormulaC6H9F4NO
Molecular Weight187.14 g/mol
Exact Mass187.06
IUPAC Name3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol
SMILESOC1(CC(F)(F)C(F)F)CNC1
InChIInChI=1S/C6H9F4NO/c7-4(8)6(9,10)1-5(12)2-11-3-5/h4,11-12H,1-3H2
InChIKeyRKUXVNNSLITUOR-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 50.61
H-Bond Donors ≤ 52
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 3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol (CID 130902464) is 3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol is OC1(CC(F)(F)C(F)F)CNC1.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol?
The InChIKey is RKUXVNNSLITUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4NO/c7-4(8)6(9,10)1-5(12)2-11-3-5/h4,11-12H,1-3H2.
What are the key properties of 3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol?
3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol has a molecular weight of 187.14 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropyl)azetidin-3-ol is sourced from PubChem (CID 130902464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).