2,2-difluoro-3-(fluoromethyl)-3-methyloxetane

C5H7F3O — CID 59426560

IUPAC2,2-difluoro-3-(fluoromethyl)-3-methyloxetane
SMILESCC1(CF)COC1(F)F
InChIInChI=1S/C5H7F3O/c1-4(2-6)3-9-5(4,7)8/h2-3H2,1H3
InChIKeyJRIDXOBXYDNEHI-UHFFFAOYSA-N
MW140.10 g/mol
LogP1.59
Rot. Bonds1

About 2,2-difluoro-3-(fluoromethyl)-3-methyloxetane

2,2-difluoro-3-(fluoromethyl)-3-methyloxetane (PubChem CID 59426560) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 2,2-difluoro-3-(fluoromethyl)-3-methyloxetane.

Molecular Properties

Compound Name2,2-difluoro-3-(fluoromethyl)-3-methyloxetane
PubChem CID59426560
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name2,2-difluoro-3-(fluoromethyl)-3-methyloxetane
SMILESCC1(CF)COC1(F)F
InChIInChI=1S/C5H7F3O/c1-4(2-6)3-9-5(4,7)8/h2-3H2,1H3
InChIKeyJRIDXOBXYDNEHI-UHFFFAOYSA-N
XLogP1.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Bis(fluoromethyl)oxetane
CID 12603408
3-(Difluor-aminomethyl)-3-methyloxetane
CID 129735476
1,1,1,3,3,3-Hexafluoro-2-(methoxymethyl)-2-(trifluoromethyl)propane
CID 87600988
3-(Trifluoromethyl)oxetane
CID 21411162
3,3-Bis(trifluoromethyl)oxetane
CID 56991310
2,2,3-Trifluoro-3-methyloxetane
CID 58421232
3-Fluoro-3-methyloxetane
CID 60055094
3-Methyl-3-(trifluoromethyl)oxetane
CID 60055097
3-(Difluoromethyl)oxetane
CID 67239723
1,1,1-Trifluoro-3-methoxy-2,2-dimethylpropane
CID 89465930
3-(Fluoromethyl)-3-methyloxetane
CID 89526427
2,2-Difluoro-3-(trifluoromethyl)oxetane;1,1,1-trifluoroethane
CID 91451151

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(fluoromethyl)-3-methyloxetane?
The IUPAC name of 2,2-difluoro-3-(fluoromethyl)-3-methyloxetane (CID 59426560) is 2,2-difluoro-3-(fluoromethyl)-3-methyloxetane.
What is the SMILES notation for 2,2-difluoro-3-(fluoromethyl)-3-methyloxetane?
The canonical SMILES for 2,2-difluoro-3-(fluoromethyl)-3-methyloxetane is CC1(CF)COC1(F)F.
What is the InChIKey of 2,2-difluoro-3-(fluoromethyl)-3-methyloxetane?
The InChIKey is JRIDXOBXYDNEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c1-4(2-6)3-9-5(4,7)8/h2-3H2,1H3.
What are the key properties of 2,2-difluoro-3-(fluoromethyl)-3-methyloxetane?
2,2-difluoro-3-(fluoromethyl)-3-methyloxetane has a molecular weight of 140.10 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(fluoromethyl)-3-methyloxetane is sourced from PubChem (CID 59426560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).