1,1,1,2,3,3-hexafluoro-2-methoxybutane

C5H6F6O — CID 23378818

IUPAC1,1,1,2,3,3-hexafluoro-2-methoxybutane
SMILESCOC(F)(C(C)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O/c1-3(6,7)4(8,12-2)5(9,10)11/h1-2H3
InChIKeyYRIAURDNTQZQJJ-UHFFFAOYSA-N
MW196.09 g/mol
LogP2.52
Rot. Bonds2

About 1,1,1,2,3,3-hexafluoro-2-methoxybutane

1,1,1,2,3,3-hexafluoro-2-methoxybutane (PubChem CID 23378818) has the molecular formula C5H6F6O and a molecular weight of 196.09 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-2-methoxybutane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-2-methoxybutane
PubChem CID23378818
Molecular FormulaC5H6F6O
Molecular Weight196.09 g/mol
Exact Mass196.03
IUPAC Name1,1,1,2,3,3-hexafluoro-2-methoxybutane
SMILESCOC(F)(C(C)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O/c1-3(6,7)4(8,12-2)5(9,10)11/h1-2H3
InChIKeyYRIAURDNTQZQJJ-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-2-methoxybutane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-2-methoxybutane (CID 23378818) is 1,1,1,2,3,3-hexafluoro-2-methoxybutane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-2-methoxybutane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-2-methoxybutane is COC(F)(C(C)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-2-methoxybutane?
The InChIKey is YRIAURDNTQZQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O/c1-3(6,7)4(8,12-2)5(9,10)11/h1-2H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-2-methoxybutane?
1,1,1,2,3,3-hexafluoro-2-methoxybutane has a molecular weight of 196.09 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-2-methoxybutane is sourced from PubChem (CID 23378818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).