1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-ol

C5H6F6O2 — CID 12023675

IUPAC1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-ol
SMILESCOCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O2/c1-13-2-3(12,4(6,7)8)5(9,10)11/h12H,2H2,1H3
InChIKeyWZPKFKHZXXOAIY-UHFFFAOYSA-N
MW212.09 g/mol
LogP1.49
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-ol (PubChem CID 12023675) 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-(methoxymethyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-ol
PubChem CID12023675
Molecular FormulaC5H6F6O2
Molecular Weight212.09 g/mol
Exact Mass212.03
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-ol
SMILESCOCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O2/c1-13-2-3(12,4(6,7)8)5(9,10)11/h12H,2H2,1H3
InChIKeyWZPKFKHZXXOAIY-UHFFFAOYSA-N
XLogP1.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-ol (CID 12023675) is 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-ol is COCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-ol?
The InChIKey is WZPKFKHZXXOAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O2/c1-13-2-3(12,4(6,7)8)5(9,10)11/h12H,2H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)propan-2-ol has a molecular weight of 212.09 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 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-(methoxymethyl)propan-2-ol is sourced from PubChem (CID 12023675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).