3-ethyl-2,2-difluorooxetane

C5H8F2O — CID 129023585

IUPAC3-ethyl-2,2-difluorooxetane
SMILESCCC1COC1(F)F
InChIInChI=1S/C5H8F2O/c1-2-4-3-8-5(4,6)7/h4H,2-3H2,1H3
InChIKeyAVSSQQMKMPZTJX-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.64
Rot. Bonds1

About 3-ethyl-2,2-difluorooxetane

3-ethyl-2,2-difluorooxetane (PubChem CID 129023585) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 3-ethyl-2,2-difluorooxetane.

Molecular Properties

Compound Name3-ethyl-2,2-difluorooxetane
PubChem CID129023585
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name3-ethyl-2,2-difluorooxetane
SMILESCCC1COC1(F)F
InChIInChI=1S/C5H8F2O/c1-2-4-3-8-5(4,6)7/h4H,2-3H2,1H3
InChIKeyAVSSQQMKMPZTJX-UHFFFAOYSA-N
XLogP1.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
3,3-Difluoro-2,2-dimethyloxetane
CID 162535828
1,1,1-Trifluoro-4-methoxy-2-(methoxymethyl)butane
CID 20641211
1-Ethoxy-1,1-difluoro-2-methylbutane
CID 20802235
2-Methyl-1-(3,3,3-trifluoropropoxy)butane
CID 21657872
2-(Ethoxymethyl)-1,1,1-trifluorobutane
CID 22002892
3-Methyl-1-(1,2,2-trifluoroethenoxy)butane
CID 22119356
1,1,1-Trifluoro-4-methoxy-2-methylbutane
CID 54079436
4-Ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium
CID 58219982
3-Fluoro-3-propan-2-yloxetane
CID 58222496
1-(2,2-Difluoroethoxy)-3-methylbutane
CID 58853917
1,1,1-Trifluoro-2-(fluoromethyl)-4-methoxybutane
CID 58870490

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2-difluorooxetane?
The IUPAC name of 3-ethyl-2,2-difluorooxetane (CID 129023585) is 3-ethyl-2,2-difluorooxetane.
What is the SMILES notation for 3-ethyl-2,2-difluorooxetane?
The canonical SMILES for 3-ethyl-2,2-difluorooxetane is CCC1COC1(F)F.
What is the InChIKey of 3-ethyl-2,2-difluorooxetane?
The InChIKey is AVSSQQMKMPZTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c1-2-4-3-8-5(4,6)7/h4H,2-3H2,1H3.
What are the key properties of 3-ethyl-2,2-difluorooxetane?
3-ethyl-2,2-difluorooxetane has a molecular weight of 122.11 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2-difluorooxetane is sourced from PubChem (CID 129023585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).