1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane

C9H14F6O2 — CID 90179701

IUPAC1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane
SMILESCC(CCC(C)C(F)(F)OC(F)(F)F)OCF
InChIInChI=1S/C9H14F6O2/c1-6(3-4-7(2)16-5-10)8(11,12)17-9(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyMBZZXRRQABXZGA-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.86
Rot. Bonds7

About 1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane

1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane (PubChem CID 90179701) has the molecular formula C9H14F6O2 and a molecular weight of 268.20 g/mol. Its IUPAC name is 1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane.

Molecular Properties

Compound Name1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane
PubChem CID90179701
Molecular FormulaC9H14F6O2
Molecular Weight268.20 g/mol
Exact Mass268.09
IUPAC Name1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane
SMILESCC(CCC(C)C(F)(F)OC(F)(F)F)OCF
InChIInChI=1S/C9H14F6O2/c1-6(3-4-7(2)16-5-10)8(11,12)17-9(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyMBZZXRRQABXZGA-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane?
The IUPAC name of 1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane (CID 90179701) is 1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane.
What is the SMILES notation for 1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane?
The canonical SMILES for 1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane is CC(CCC(C)C(F)(F)OC(F)(F)F)OCF.
What is the InChIKey of 1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane?
The InChIKey is MBZZXRRQABXZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O2/c1-6(3-4-7(2)16-5-10)8(11,12)17-9(13,14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane?
1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane has a molecular weight of 268.20 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-5-(fluoromethoxy)-2-methyl-1-(trifluoromethoxy)hexane is sourced from PubChem (CID 90179701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).