difluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane

C4H2F8O3 — CID 10220579

IUPACdifluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane
SMILESFC(F)OC(F)(F)OC(F)(F)OC(F)F
InChIInChI=1S/C4H2F8O3/c5-1(6)13-3(9,10)15-4(11,12)14-2(7)8/h1-2H
InChIKeyMHYWSTJHJAVPAD-UHFFFAOYSA-N
MW250.04 g/mol
LogP2.58
Rot. Bonds6

About difluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane

difluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane (PubChem CID 10220579) has the molecular formula C4H2F8O3 and a molecular weight of 250.04 g/mol. Its IUPAC name is difluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane.

Molecular Properties

Compound Namedifluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane
PubChem CID10220579
Molecular FormulaC4H2F8O3
Molecular Weight250.04 g/mol
Exact Mass249.99
IUPAC Namedifluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane
SMILESFC(F)OC(F)(F)OC(F)(F)OC(F)F
InChIInChI=1S/C4H2F8O3/c5-1(6)13-3(9,10)15-4(11,12)14-2(7)8/h1-2H
InChIKeyMHYWSTJHJAVPAD-UHFFFAOYSA-N
XLogP2.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of difluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane?
The IUPAC name of difluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane (CID 10220579) is difluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane.
What is the SMILES notation for difluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane?
The canonical SMILES for difluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane is FC(F)OC(F)(F)OC(F)(F)OC(F)F.
What is the InChIKey of difluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane?
The InChIKey is MHYWSTJHJAVPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O3/c5-1(6)13-3(9,10)15-4(11,12)14-2(7)8/h1-2H.
What are the key properties of difluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane?
difluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane has a molecular weight of 250.04 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethoxy-[difluoromethoxy(difluoro)methoxy]-difluoromethane is sourced from PubChem (CID 10220579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).