1-(azetidin-3-yloxy)-3-fluoropropan-2-ol

C6H12FNO2 — CID 130909654

IUPAC1-(azetidin-3-yloxy)-3-fluoropropan-2-ol
SMILESOC(CF)COC1CNC1
InChIInChI=1S/C6H12FNO2/c7-1-5(9)4-10-6-2-8-3-6/h5-6,8-9H,1-4H2
InChIKeyBLJRECBJZVPRFX-UHFFFAOYSA-N
MW149.16 g/mol
LogP-0.69
Rot. Bonds4

About 1-(azetidin-3-yloxy)-3-fluoropropan-2-ol

1-(azetidin-3-yloxy)-3-fluoropropan-2-ol (PubChem CID 130909654) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is 1-(azetidin-3-yloxy)-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(azetidin-3-yloxy)-3-fluoropropan-2-ol
PubChem CID130909654
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name1-(azetidin-3-yloxy)-3-fluoropropan-2-ol
SMILESOC(CF)COC1CNC1
InChIInChI=1S/C6H12FNO2/c7-1-5(9)4-10-6-2-8-3-6/h5-6,8-9H,1-4H2
InChIKeyBLJRECBJZVPRFX-UHFFFAOYSA-N
XLogP-0.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yloxy)-3-fluoropropan-2-ol?
The IUPAC name of 1-(azetidin-3-yloxy)-3-fluoropropan-2-ol (CID 130909654) is 1-(azetidin-3-yloxy)-3-fluoropropan-2-ol.
What is the SMILES notation for 1-(azetidin-3-yloxy)-3-fluoropropan-2-ol?
The canonical SMILES for 1-(azetidin-3-yloxy)-3-fluoropropan-2-ol is OC(CF)COC1CNC1.
What is the InChIKey of 1-(azetidin-3-yloxy)-3-fluoropropan-2-ol?
The InChIKey is BLJRECBJZVPRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c7-1-5(9)4-10-6-2-8-3-6/h5-6,8-9H,1-4H2.
What are the key properties of 1-(azetidin-3-yloxy)-3-fluoropropan-2-ol?
1-(azetidin-3-yloxy)-3-fluoropropan-2-ol has a molecular weight of 149.16 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yloxy)-3-fluoropropan-2-ol is sourced from PubChem (CID 130909654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).