1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane

C9H12F10O2 — CID 91429246

IUPAC1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane
SMILESCOC(C)(F)C(F)(F)F.COC(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C5H6F6O.C4H6F4O/c1-3(6,7)4(8,9)5(10,11)12-2;1-3(5,9-2)4(6,7)8/h1-2H3;1-2H3
InChIKeyZVRADUYPCSOYNG-UHFFFAOYSA-N
MW342.17 g/mol
LogP4.40
Rot. Bonds4

About 1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane

1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane (PubChem CID 91429246) has the molecular formula C9H12F10O2 and a molecular weight of 342.17 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane
PubChem CID91429246
Molecular FormulaC9H12F10O2
Molecular Weight342.17 g/mol
Exact Mass342.07
IUPAC Name1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane
SMILESCOC(C)(F)C(F)(F)F.COC(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C5H6F6O.C4H6F4O/c1-3(6,7)4(8,9)5(10,11)12-2;1-3(5,9-2)4(6,7)8/h1-2H3;1-2H3
InChIKeyZVRADUYPCSOYNG-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane (CID 91429246) is 1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane is COC(C)(F)C(F)(F)F.COC(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane?
The InChIKey is ZVRADUYPCSOYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O.C4H6F4O/c1-3(6,7)4(8,9)5(10,11)12-2;1-3(5,9-2)4(6,7)8/h1-2H3;1-2H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane?
1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane has a molecular weight of 342.17 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-1-methoxybutane;1,1,1,2-tetrafluoro-2-methoxypropane is sourced from PubChem (CID 91429246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).