3,3-difluoro-2,2-dimethyloxetane

C5H8F2O — CID 162535828

IUPAC3,3-difluoro-2,2-dimethyloxetane
SMILESCC1(C)OCC1(F)F
InChIInChI=1S/C5H8F2O/c1-4(2)5(6,7)3-8-4/h3H2,1-2H3
InChIKeyZAGRZKFZJAOBBS-UHFFFAOYSA-N
MW122.11 g/mol
LogP1.43
Rot. Bonds

About 3,3-difluoro-2,2-dimethyloxetane

3,3-difluoro-2,2-dimethyloxetane (PubChem CID 162535828) has the molecular formula C5H8F2O and a molecular weight of 122.11 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethyloxetane.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethyloxetane
PubChem CID162535828
Molecular FormulaC5H8F2O
Molecular Weight122.11 g/mol
Exact Mass122.05
IUPAC Name3,3-difluoro-2,2-dimethyloxetane
SMILESCC1(C)OCC1(F)F
InChIInChI=1S/C5H8F2O/c1-4(2)5(6,7)3-8-4/h3H2,1-2H3
InChIKeyZAGRZKFZJAOBBS-UHFFFAOYSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.11
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Dimethyloxetane
CID 22615
4-Fluoro-2,2-bis(trifluoromethyl)oxetane
CID 14144890
2-Methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
3,3,4-Trifluoro-2,2-dimethyloxetane
CID 13526672
2,2-Bis(trifluoromethyl)oxetane
CID 14144886
3-Fluoro-2,2-dimethyloxetane
CID 22407631
2-(2,2-Difluoroethoxy)-2-methylpropane
CID 57585792
2-Methyl-2-(3,3,3-trifluoropropoxy)propane
CID 58403060
2-Ethoxy-1,1,1-trifluoro-2-methylbutane
CID 58895598
2-Fluoro-2-(fluoromethyl)-3-methyloxetane
CID 58936780
3,3-Difluoro-2-methyl-2-(trifluoromethyl)oxetane
CID 59310355
1,1,1-Trifluoro-2-methyl-2-propoxybutane
CID 59422968

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethyloxetane?
The IUPAC name of 3,3-difluoro-2,2-dimethyloxetane (CID 162535828) is 3,3-difluoro-2,2-dimethyloxetane.
What is the SMILES notation for 3,3-difluoro-2,2-dimethyloxetane?
The canonical SMILES for 3,3-difluoro-2,2-dimethyloxetane is CC1(C)OCC1(F)F.
What is the InChIKey of 3,3-difluoro-2,2-dimethyloxetane?
The InChIKey is ZAGRZKFZJAOBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O/c1-4(2)5(6,7)3-8-4/h3H2,1-2H3.
What are the key properties of 3,3-difluoro-2,2-dimethyloxetane?
3,3-difluoro-2,2-dimethyloxetane has a molecular weight of 122.11 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethyloxetane is sourced from PubChem (CID 162535828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).