1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane

C6H8F6O2 — CID 91705047

IUPAC1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane
SMILESCOC(C(OC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O2/c1-13-3(5(7,8)9)4(14-2)6(10,11)12/h3-4H,1-2H3
InChIKeyWNWDLIOBXHXLOX-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.14
Rot. Bonds3

About 1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane

1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane (PubChem CID 91705047) has the molecular formula C6H8F6O2 and a molecular weight of 226.12 g/mol. Its IUPAC name is 1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane.

Molecular Properties

Compound Name1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane
PubChem CID91705047
Molecular FormulaC6H8F6O2
Molecular Weight226.12 g/mol
Exact Mass226.04
IUPAC Name1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane
SMILESCOC(C(OC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O2/c1-13-3(5(7,8)9)4(14-2)6(10,11)12/h3-4H,1-2H3
InChIKeyWNWDLIOBXHXLOX-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane?
The IUPAC name of 1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane (CID 91705047) is 1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane.
What is the SMILES notation for 1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane?
The canonical SMILES for 1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane is COC(C(OC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane?
The InChIKey is WNWDLIOBXHXLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O2/c1-13-3(5(7,8)9)4(14-2)6(10,11)12/h3-4H,1-2H3.
What are the key properties of 1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane?
1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane has a molecular weight of 226.12 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,4-hexafluoro-2,3-dimethoxybutane is sourced from PubChem (CID 91705047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).