difluoro-bis(trifluoromethoxy)methane

C3F8O2 — CID 22016181

IUPACdifluoro-bis(trifluoromethoxy)methane
SMILESFC(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C3F8O2/c4-1(5,6)12-3(10,11)13-2(7,8)9
InChIKeyJBMJTZMGVDWHRJ-UHFFFAOYSA-N
MW220.01 g/mol
LogP2.61
Rot. Bonds2

About difluoro-bis(trifluoromethoxy)methane

difluoro-bis(trifluoromethoxy)methane (PubChem CID 22016181) has the molecular formula C3F8O2 and a molecular weight of 220.01 g/mol. Its IUPAC name is difluoro-bis(trifluoromethoxy)methane.

Molecular Properties

Compound Namedifluoro-bis(trifluoromethoxy)methane
PubChem CID22016181
Molecular FormulaC3F8O2
Molecular Weight220.01 g/mol
Exact Mass219.98
IUPAC Namedifluoro-bis(trifluoromethoxy)methane
SMILESFC(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C3F8O2/c4-1(5,6)12-3(10,11)13-2(7,8)9
InChIKeyJBMJTZMGVDWHRJ-UHFFFAOYSA-N
XLogP2.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.01
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Tetrakis(trifluoromethoxy)methane
CID 13898156
Bis(difluoromethoxy)difluoromethane
CID 10130251
Carbonic acid bis(trifluoromethyl) ester
CID 21263525
[Difluoro(trifluoromethoxy)methyl] carbonofluoridate
CID 176083862
Difluoro-(fluoromethoxy)-(trifluoromethoxy)methane
CID 20746276
2,2,4,4,6,6-Hexafluoro-1,3,5-trioxane
CID 21882012
[Difluoro(trifluoromethoxy)methyl] hypofluorite
CID 58926945
Difluoromethoxy-difluoro-(fluoromethoxy)methane
CID 154265029
[[[Difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethyl] hypofluorite
CID 172090910
[[Difluoromethoxy(difluoro)methoxy]-difluoromethyl] hypofluorite
CID 174300370
[[Difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite
CID 174300373
Difluoromethoxy-difluoro-(trifluoromethoxy)methane
CID 12713323

Frequently Asked Questions

What is the IUPAC name of difluoro-bis(trifluoromethoxy)methane?
The IUPAC name of difluoro-bis(trifluoromethoxy)methane (CID 22016181) is difluoro-bis(trifluoromethoxy)methane.
What is the SMILES notation for difluoro-bis(trifluoromethoxy)methane?
The canonical SMILES for difluoro-bis(trifluoromethoxy)methane is FC(F)(F)OC(F)(F)OC(F)(F)F.
What is the InChIKey of difluoro-bis(trifluoromethoxy)methane?
The InChIKey is JBMJTZMGVDWHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F8O2/c4-1(5,6)12-3(10,11)13-2(7,8)9.
What are the key properties of difluoro-bis(trifluoromethoxy)methane?
difluoro-bis(trifluoromethoxy)methane has a molecular weight of 220.01 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-bis(trifluoromethoxy)methane is sourced from PubChem (CID 22016181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).