[2,2-difluoroethoxy(difluoro)methyl] hypofluorite

C3H3F5O2 — CID 159937141

IUPAC[2,2-difluoroethoxy(difluoro)methyl] hypofluorite
SMILESFOC(F)(F)OCC(F)F
InChIInChI=1S/C3H3F5O2/c4-2(5)1-9-3(6,7)10-8/h2H,1H2
InChIKeyOAJZRGZFSBZMBB-UHFFFAOYSA-N
MW166.04 g/mol
LogP1.72
Rot. Bonds4

About [2,2-difluoroethoxy(difluoro)methyl] hypofluorite

[2,2-difluoroethoxy(difluoro)methyl] hypofluorite (PubChem CID 159937141) has the molecular formula C3H3F5O2 and a molecular weight of 166.04 g/mol. Its IUPAC name is [2,2-difluoroethoxy(difluoro)methyl] hypofluorite.

Molecular Properties

Compound Name[2,2-difluoroethoxy(difluoro)methyl] hypofluorite
PubChem CID159937141
Molecular FormulaC3H3F5O2
Molecular Weight166.04 g/mol
Exact Mass166.01
IUPAC Name[2,2-difluoroethoxy(difluoro)methyl] hypofluorite
SMILESFOC(F)(F)OCC(F)F
InChIInChI=1S/C3H3F5O2/c4-2(5)1-9-3(6,7)10-8/h2H,1H2
InChIKeyOAJZRGZFSBZMBB-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.04
LogP ≤ 51.72
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

2-[Difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
CID 14203789
2,2,2-Trifluoroethoxymethyl hypofluorite
CID 22975857
Difluoro(2,2,2-trifluoroethoxy)methanol
CID 54080608
2,2-Difluoroethoxy(difluoro)methanol
CID 57086823
1-[Difluoro(fluoromethoxy)methoxy]-2-fluoroethane
CID 57934668
2-[Difluoro(trifluoromethoxy)methoxy]-1,1,1-trifluoroethane
CID 57983763
2,2,2-Trifluoroethyl orthocarbonate
CID 86584013
2,2,2-Trifluoroethoxymethanolate
CID 140799749
[2,2,2-Trifluoro-1-(trifluoromethoxy)ethyl] hypofluorite
CID 153980206
1-[Difluoro(1,2,2,2-tetrafluoroethoxy)methoxy]-1,1,2,2,2-pentafluoroethane
CID 175740118
1,1,1,2,2-Pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane
CID 175740134
1-[1,2-Difluoroethoxy(difluoro)methoxy]-1,1,2,2,2-pentafluoroethane
CID 175803873

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoroethoxy(difluoro)methyl] hypofluorite?
The IUPAC name of [2,2-difluoroethoxy(difluoro)methyl] hypofluorite (CID 159937141) is [2,2-difluoroethoxy(difluoro)methyl] hypofluorite.
What is the SMILES notation for [2,2-difluoroethoxy(difluoro)methyl] hypofluorite?
The canonical SMILES for [2,2-difluoroethoxy(difluoro)methyl] hypofluorite is FOC(F)(F)OCC(F)F.
What is the InChIKey of [2,2-difluoroethoxy(difluoro)methyl] hypofluorite?
The InChIKey is OAJZRGZFSBZMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O2/c4-2(5)1-9-3(6,7)10-8/h2H,1H2.
What are the key properties of [2,2-difluoroethoxy(difluoro)methyl] hypofluorite?
[2,2-difluoroethoxy(difluoro)methyl] hypofluorite has a molecular weight of 166.04 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoroethoxy(difluoro)methyl] hypofluorite is sourced from PubChem (CID 159937141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).