difluoromethoxy-difluoro-(fluoromethoxy)methane

C3H3F5O2 — CID 154265029

IUPACdifluoromethoxy-difluoro-(fluoromethoxy)methane
SMILESFCOC(F)(F)OC(F)F
InChIInChI=1S/C3H3F5O2/c4-1-9-3(7,8)10-2(5)6/h2H,1H2
InChIKeyNKPBYVBGIBAVPW-UHFFFAOYSA-N
MW166.04 g/mol
LogP1.72
Rot. Bonds4

About difluoromethoxy-difluoro-(fluoromethoxy)methane

difluoromethoxy-difluoro-(fluoromethoxy)methane (PubChem CID 154265029) has the molecular formula C3H3F5O2 and a molecular weight of 166.04 g/mol. Its IUPAC name is difluoromethoxy-difluoro-(fluoromethoxy)methane.

Molecular Properties

Compound Namedifluoromethoxy-difluoro-(fluoromethoxy)methane
PubChem CID154265029
Molecular FormulaC3H3F5O2
Molecular Weight166.04 g/mol
Exact Mass166.01
IUPAC Namedifluoromethoxy-difluoro-(fluoromethoxy)methane
SMILESFCOC(F)(F)OC(F)F
InChIInChI=1S/C3H3F5O2/c4-1-9-3(7,8)10-2(5)6/h2H,1H2
InChIKeyNKPBYVBGIBAVPW-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

Bis(difluoromethoxy)difluoromethane
CID 10130251
Oxybis[(difluoromethoxy)difluoromethane]
CID 10220579
Difluorobis(trifluoromethoxy)methane
CID 22016181
Pentafluorodimethoxymethane
CID 136664204
Trifluoro(fluoromethoxymethoxy)methane
CID 20650242
Difluoro-(fluoromethoxy)-(trifluoromethoxy)methane
CID 20746276
Fluoromethyl trifluoromethyl carbonate
CID 20871002
Trifluoromethoxymethyl hypofluorite
CID 23576718
[Difluoro(fluoromethoxy)methoxy]methyl hypofluorite
CID 53981058
Trifluoro(trifluoromethoxymethoxy)methane
CID 54208349
Difluoro-methoxy-(trifluoromethoxy)methane
CID 57577895
[Fluoro(trifluoromethoxy)methyl] hypofluorite
CID 57828726

Frequently Asked Questions

What is the IUPAC name of difluoromethoxy-difluoro-(fluoromethoxy)methane?
The IUPAC name of difluoromethoxy-difluoro-(fluoromethoxy)methane (CID 154265029) is difluoromethoxy-difluoro-(fluoromethoxy)methane.
What is the SMILES notation for difluoromethoxy-difluoro-(fluoromethoxy)methane?
The canonical SMILES for difluoromethoxy-difluoro-(fluoromethoxy)methane is FCOC(F)(F)OC(F)F.
What is the InChIKey of difluoromethoxy-difluoro-(fluoromethoxy)methane?
The InChIKey is NKPBYVBGIBAVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O2/c4-1-9-3(7,8)10-2(5)6/h2H,1H2.
What are the key properties of difluoromethoxy-difluoro-(fluoromethoxy)methane?
difluoromethoxy-difluoro-(fluoromethoxy)methane 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 difluoromethoxy-difluoro-(fluoromethoxy)methane is sourced from PubChem (CID 154265029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).