1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane

C4H2F8O — CID 2778269

IUPAC1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane
SMILESFC(F)OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C4H2F8O/c5-1(3(8,9)10)4(11,12)13-2(6)7/h1-2H
InChIKeyWSIIYENBWBHASS-UHFFFAOYSA-N
MW218.04 g/mol
LogP2.72
Rot. Bonds3

About 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane

1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane (PubChem CID 2778269) has the molecular formula C4H2F8O and a molecular weight of 218.04 g/mol. Its IUPAC name is 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane
PubChem CID2778269
Molecular FormulaC4H2F8O
Molecular Weight218.04 g/mol
Exact Mass218.00
IUPAC Name1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane
SMILESFC(F)OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C4H2F8O/c5-1(3(8,9)10)4(11,12)13-2(6)7/h1-2H
InChIKeyWSIIYENBWBHASS-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Heptafluoropropyl 1,2,2,2-tetrafluoroethyl ether
CID 94258
Propane, 1,1,1,2,2,3,3-heptafluoro-3-methoxy-
CID 2774943
1,1,2,2,3,3-Hexafluoro-1-(trifluoromethoxy)propane
CID 45075664
3-(Difluoromethoxy)-1,1,2,2-tetrafluoropropane
CID 2737027
1,1,2,3,3,3-Hexafluoropropyl methyl ether
CID 2778364
Difluoromethyl 1,1,2,2-tetrafluoroethyl ether
CID 122960
Difluoromethyl 2,2,3,3,3-pentafluoropropyl ether
CID 92551
1-(Difluoromethoxy)-1,1,2-trifluoroethane
CID 22178540
4-(Difluoromethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 19063484
1,1,1,3,3-Pentafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)propane
CID 44582441
CID 205998
CID 205998
1,1,2,2,3,3-Hexafluoro-1-methoxypropane
CID 22178541

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane?
The IUPAC name of 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane (CID 2778269) is 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane.
What is the SMILES notation for 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane?
The canonical SMILES for 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane is FC(F)OC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane?
The InChIKey is WSIIYENBWBHASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O/c5-1(3(8,9)10)4(11,12)13-2(6)7/h1-2H.
What are the key properties of 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane?
1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane has a molecular weight of 218.04 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane is sourced from PubChem (CID 2778269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).