2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane

C6H6F6O — CID 20759157

IUPAC2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane
SMILESCC1(CF)C(C(F)(F)F)OC1(F)F
InChIInChI=1S/C6H6F6O/c1-4(2-7)3(5(8,9)10)13-6(4,11)12/h3H,2H2,1H3
InChIKeyBUTOWKIVNUTZPO-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.52
Rot. Bonds1

About 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane

2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane (PubChem CID 20759157) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane
PubChem CID20759157
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane
SMILESCC1(CF)C(C(F)(F)F)OC1(F)F
InChIInChI=1S/C6H6F6O/c1-4(2-7)3(5(8,9)10)13-6(4,11)12/h3H,2H2,1H3
InChIKeyBUTOWKIVNUTZPO-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(2,2,3,3,4,4,4-Heptafluorobutoxy)ethyl]-3-methyloxetane
CID 22906195
3,3-Difluoro-2-methyl-2-(trifluoromethyl)oxetane
CID 59310355
3,3-Bis(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-2-methyloxetane
CID 139966731
2,2,3-Trifluoro-3,4-bis(trifluoromethyl)oxetane
CID 154111706
2,2-Difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;methane;1,1,2-trifluoroethene
CID 158007863
2,2-Difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane;1,1,2-trifluoroethene
CID 159474557
(2R,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane
CID 12633090
(2S,3R,4S)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane
CID 21732730
(2S,3R,4R)-3,4-difluoro-2-methyl-2-(trifluoromethyl)oxetane
CID 21732731
2,2,3,3-Tetrafluoro-4-methyl-oxetane
CID 23233767
2-Methyl-3-(trifluoromethyl)oxetane
CID 162568156

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane?
The IUPAC name of 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane (CID 20759157) is 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane.
What is the SMILES notation for 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane?
The canonical SMILES for 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane is CC1(CF)C(C(F)(F)F)OC1(F)F.
What is the InChIKey of 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane?
The InChIKey is BUTOWKIVNUTZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c1-4(2-7)3(5(8,9)10)13-6(4,11)12/h3H,2H2,1H3.
What are the key properties of 2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane?
2,2-difluoro-3-(fluoromethyl)-3-methyl-4-(trifluoromethyl)oxetane has a molecular weight of 208.10 g/mol, XLogP of 2.52, 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-methyl-4-(trifluoromethyl)oxetane is sourced from PubChem (CID 20759157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).