3,3-difluoro-2-methyl-2-(trifluoromethyl)oxetane

C5H5F5O — CID 59310355

IUPAC3,3-difluoro-2-methyl-2-(trifluoromethyl)oxetane
SMILESCC1(C(F)(F)F)OCC1(F)F
InChIInChI=1S/C5H5F5O/c1-3(5(8,9)10)4(6,7)2-11-3/h2H2,1H3
InChIKeyRCUZMSDTZAJOGB-UHFFFAOYSA-N
MW176.08 g/mol
LogP1.97
Rot. Bonds

About 3,3-difluoro-2-methyl-2-(trifluoromethyl)oxetane

3,3-difluoro-2-methyl-2-(trifluoromethyl)oxetane (PubChem CID 59310355) has the molecular formula C5H5F5O and a molecular weight of 176.08 g/mol. Its IUPAC name is 3,3-difluoro-2-methyl-2-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name3,3-difluoro-2-methyl-2-(trifluoromethyl)oxetane
PubChem CID59310355
Molecular FormulaC5H5F5O
Molecular Weight176.08 g/mol
Exact Mass176.03
IUPAC Name3,3-difluoro-2-methyl-2-(trifluoromethyl)oxetane
SMILESCC1(C(F)(F)F)OCC1(F)F
InChIInChI=1S/C5H5F5O/c1-3(5(8,9)10)4(6,7)2-11-3/h2H2,1H3
InChIKeyRCUZMSDTZAJOGB-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Fluoro-2,2-bis(trifluoromethyl)oxetane
CID 14144890
2,2-Difluoro-4,4-bis(trifluoromethyl)oxetane
CID 10242929
(3S)-2,2,3-trifluoro-4,4-bis(trifluoromethyl)oxetane
CID 101028509
3,3-Difluoro-2,2-dimethyloxetane
CID 162535828
2-Ethoxy-2-(trifluoromethyl)-1,1,1,3,3,3-hexafluoropropane
CID 11065298
3,3,4-Trifluoro-2,2-dimethyloxetane
CID 13526672
2,2-Bis(trifluoromethyl)oxetane
CID 14144886
4-Ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane
CID 19063479
2-Ethoxy-1,1,1,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butane
CID 20677380
1,1,1,3,3,3-Hexafluoro-2-methyl-2-(2,2,2-trifluoroethoxy)propane
CID 20738940
2,2-Difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane
CID 20759157
3-Fluoro-2,2-dimethyloxetane
CID 22407631

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methyl-2-(trifluoromethyl)oxetane?
The IUPAC name of 3,3-difluoro-2-methyl-2-(trifluoromethyl)oxetane (CID 59310355) is 3,3-difluoro-2-methyl-2-(trifluoromethyl)oxetane.
What is the SMILES notation for 3,3-difluoro-2-methyl-2-(trifluoromethyl)oxetane?
The canonical SMILES for 3,3-difluoro-2-methyl-2-(trifluoromethyl)oxetane is CC1(C(F)(F)F)OCC1(F)F.
What is the InChIKey of 3,3-difluoro-2-methyl-2-(trifluoromethyl)oxetane?
The InChIKey is RCUZMSDTZAJOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O/c1-3(5(8,9)10)4(6,7)2-11-3/h2H2,1H3.
What are the key properties of 3,3-difluoro-2-methyl-2-(trifluoromethyl)oxetane?
3,3-difluoro-2-methyl-2-(trifluoromethyl)oxetane has a molecular weight of 176.08 g/mol, XLogP of 1.97, 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-methyl-2-(trifluoromethyl)oxetane is sourced from PubChem (CID 59310355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).