difluoromethoxy-difluoro-(trifluoromethoxy)methane

C3HF7O2 — CID 12713323

IUPACdifluoromethoxy-difluoro-(trifluoromethoxy)methane
SMILESFC(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C3HF7O2/c4-1(5)11-3(9,10)12-2(6,7)8/h1H
InChIKeyVEHJUERMSVLDJS-UHFFFAOYSA-N
MW202.03 g/mol
LogP2.31
Rot. Bonds3

About difluoromethoxy-difluoro-(trifluoromethoxy)methane

difluoromethoxy-difluoro-(trifluoromethoxy)methane (PubChem CID 12713323) has the molecular formula C3HF7O2 and a molecular weight of 202.03 g/mol. Its IUPAC name is difluoromethoxy-difluoro-(trifluoromethoxy)methane.

Molecular Properties

Compound Namedifluoromethoxy-difluoro-(trifluoromethoxy)methane
PubChem CID12713323
Molecular FormulaC3HF7O2
Molecular Weight202.03 g/mol
Exact Mass201.99
IUPAC Namedifluoromethoxy-difluoro-(trifluoromethoxy)methane
SMILESFC(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C3HF7O2/c4-1(5)11-3(9,10)12-2(6,7)8/h1H
InChIKeyVEHJUERMSVLDJS-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.03
LogP ≤ 52.31
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-(trifluoromethoxy)methane?
The IUPAC name of difluoromethoxy-difluoro-(trifluoromethoxy)methane (CID 12713323) is difluoromethoxy-difluoro-(trifluoromethoxy)methane.
What is the SMILES notation for difluoromethoxy-difluoro-(trifluoromethoxy)methane?
The canonical SMILES for difluoromethoxy-difluoro-(trifluoromethoxy)methane is FC(F)OC(F)(F)OC(F)(F)F.
What is the InChIKey of difluoromethoxy-difluoro-(trifluoromethoxy)methane?
The InChIKey is VEHJUERMSVLDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7O2/c4-1(5)11-3(9,10)12-2(6,7)8/h1H.
What are the key properties of difluoromethoxy-difluoro-(trifluoromethoxy)methane?
difluoromethoxy-difluoro-(trifluoromethoxy)methane has a molecular weight of 202.03 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethoxy-difluoro-(trifluoromethoxy)methane is sourced from PubChem (CID 12713323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).