[[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite

C3F8O3 — CID 174300373

IUPAC[[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite
SMILESFOC(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C3F8O3/c4-1(5,6)12-2(7,8)13-3(9,10)14-11
InChIKeyMGEDSMSPTOYHCL-UHFFFAOYSA-N
MW236.01 g/mol
LogP2.54
Rot. Bonds4

About [[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite

[[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite (PubChem CID 174300373) has the molecular formula C3F8O3 and a molecular weight of 236.01 g/mol. Its IUPAC name is [[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite.

Molecular Properties

Compound Name[[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite
PubChem CID174300373
Molecular FormulaC3F8O3
Molecular Weight236.01 g/mol
Exact Mass235.97
IUPAC Name[[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite
SMILESFOC(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C3F8O3/c4-1(5,6)12-2(7,8)13-3(9,10)14-11
InChIKeyMGEDSMSPTOYHCL-UHFFFAOYSA-N
XLogP2.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.01
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
Difluorobis(trifluoromethoxy)methane
CID 22016181
[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
Difluoromethoxy-difluoro-(trifluoromethoxy)methane
CID 12713323

Frequently Asked Questions

What is the IUPAC name of [[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite?
The IUPAC name of [[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite (CID 174300373) is [[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite.
What is the SMILES notation for [[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite?
The canonical SMILES for [[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite is FOC(F)(F)OC(F)(F)OC(F)(F)F.
What is the InChIKey of [[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite?
The InChIKey is MGEDSMSPTOYHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F8O3/c4-1(5,6)12-2(7,8)13-3(9,10)14-11.
What are the key properties of [[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite?
[[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite has a molecular weight of 236.01 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[difluoro(trifluoromethoxy)methoxy]-difluoromethyl] hypofluorite is sourced from PubChem (CID 174300373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).