1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane

C5H6F6O2 — CID 22572626

IUPAC1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane
SMILESCOC(OC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O2/c1-12-3(13-2,4(6,7)8)5(9,10)11/h1-2H3
InChIKeyVNKRZKNIOMOHAA-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.10
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane

1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane (PubChem CID 22572626) has the molecular formula C5H6F6O2 and a molecular weight of 212.09 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane
PubChem CID22572626
Molecular FormulaC5H6F6O2
Molecular Weight212.09 g/mol
Exact Mass212.03
IUPAC Name1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane
SMILESCOC(OC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O2/c1-12-3(13-2,4(6,7)8)5(9,10)11/h1-2H3
InChIKeyVNKRZKNIOMOHAA-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-methoxy-2-propanol
CID 136473
Pentafluoromethoxyisopropyl fluoro-methyl ether
CID 87847383
Pentafluorodimethoxypropane
CID 129809148
1,1,1-Trifluoro-2,2-dimethoxypropane
CID 18927606
1,1,1,2,3,3-Hexafluoro-2-(methoxymethoxy)propane
CID 18974574
1,1,1,2,3,3,3-Heptafluoro-2-(methoxymethoxy)propane
CID 20605370
1,1,1,3,3,3-Hexafluoro-2,2-bis(fluoromethoxy)propane
CID 20609480
1,1,1,2-Tetrafluoro-3,3,3-trimethoxypropane
CID 21504979
1,1,1-Trifluoro-2,2,2-tris(fluoromethoxy)ethane
CID 22495104
1,1,1,2-Tetrafluoro-2,2-bis(fluoromethoxy)ethane
CID 22495110
1,1,1,2,3,3-Hexafluoro-2-[fluoro(methoxy)methoxy]propane
CID 23225962
2,2,4,4-Tetrafluoro-3,3-bis(trifluoromethoxy)pentane
CID 57831783

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane (CID 22572626) is 1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane is COC(OC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane?
The InChIKey is VNKRZKNIOMOHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O2/c1-12-3(13-2,4(6,7)8)5(9,10)11/h1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane?
1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane has a molecular weight of 212.09 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2,2-dimethoxypropane is sourced from PubChem (CID 22572626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).