3-fluoro-3-propyloxetane

C6H11FO — CID 130332478

IUPAC3-fluoro-3-propyloxetane
SMILESCCCC1(F)COC1
InChIInChI=1S/C6H11FO/c1-2-3-6(7)4-8-5-6/h2-5H2,1H3
InChIKeyZBMCTFPGXFNUCO-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.52
Rot. Bonds2

About 3-fluoro-3-propyloxetane

3-fluoro-3-propyloxetane (PubChem CID 130332478) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 3-fluoro-3-propyloxetane.

Molecular Properties

Compound Name3-fluoro-3-propyloxetane
PubChem CID130332478
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name3-fluoro-3-propyloxetane
SMILESCCCC1(F)COC1
InChIInChI=1S/C6H11FO/c1-2-3-6(7)4-8-5-6/h2-5H2,1H3
InChIKeyZBMCTFPGXFNUCO-UHFFFAOYSA-N
XLogP1.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-propyloxetane?
The IUPAC name of 3-fluoro-3-propyloxetane (CID 130332478) is 3-fluoro-3-propyloxetane.
What is the SMILES notation for 3-fluoro-3-propyloxetane?
The canonical SMILES for 3-fluoro-3-propyloxetane is CCCC1(F)COC1.
What is the InChIKey of 3-fluoro-3-propyloxetane?
The InChIKey is ZBMCTFPGXFNUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-2-3-6(7)4-8-5-6/h2-5H2,1H3.
What are the key properties of 3-fluoro-3-propyloxetane?
3-fluoro-3-propyloxetane has a molecular weight of 118.15 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-propyloxetane is sourced from PubChem (CID 130332478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).