1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane

C7H11F5O2 — CID 59966875

IUPAC1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane
SMILESCCCC(F)(F)OCC(F)(F)OCF
InChIInChI=1S/C7H11F5O2/c1-2-3-6(9,10)13-4-7(11,12)14-5-8/h2-5H2,1H3
InChIKeyHOUATEHMNXCQKA-UHFFFAOYSA-N
MW222.15 g/mol
LogP2.93
Rot. Bonds7

About 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane

1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane (PubChem CID 59966875) has the molecular formula C7H11F5O2 and a molecular weight of 222.15 g/mol. Its IUPAC name is 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane.

Molecular Properties

Compound Name1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane
PubChem CID59966875
Molecular FormulaC7H11F5O2
Molecular Weight222.15 g/mol
Exact Mass222.07
IUPAC Name1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane
SMILESCCCC(F)(F)OCC(F)(F)OCF
InChIInChI=1S/C7H11F5O2/c1-2-3-6(9,10)13-4-7(11,12)14-5-8/h2-5H2,1H3
InChIKeyHOUATEHMNXCQKA-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-1,1-difluorobutane;fluoromethane
CID 91368772
[2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol
CID 23379719
1,2,2,3,3,4,4-heptafluoroheptane-1,1-diol
CID 150787690
1-ethoxy-1,1-difluoropentane
CID 21052612
fluoromethane;1,1,2-trifluoro-1-(fluoromethoxy)ethane;1,2,2-trifluoropropane
CID 91351347
1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane
CID 58114569
1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane
CID 155372956
2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate
CID 168734514
1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 88857732
ethane;2,3,3-trifluoro-2-methylhexane
CID 178006471
1-(18F)fluoropropane
CID 59847724
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol
CID 87670862

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane?
The IUPAC name of 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane (CID 59966875) is 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane.
What is the SMILES notation for 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane?
The canonical SMILES for 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane is CCCC(F)(F)OCC(F)(F)OCF.
What is the InChIKey of 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane?
The InChIKey is HOUATEHMNXCQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5O2/c1-2-3-6(9,10)13-4-7(11,12)14-5-8/h2-5H2,1H3.
What are the key properties of 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane?
1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane has a molecular weight of 222.15 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane is sourced from PubChem (CID 59966875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).