2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C6H8F6O2 — CID 20776569

IUPAC2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCOCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O2/c1-2-14-3-4(13,5(7,8)9)6(10,11)12/h13H,2-3H2,1H3
InChIKeyZBTIJZBFODKSDQ-UHFFFAOYSA-N
MW226.12 g/mol
LogP1.88
Rot. Bonds3

About 2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 20776569) has the molecular formula C6H8F6O2 and a molecular weight of 226.12 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID20776569
Molecular FormulaC6H8F6O2
Molecular Weight226.12 g/mol
Exact Mass226.04
IUPAC Name2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCOCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6O2/c1-2-14-3-4(13,5(7,8)9)6(10,11)12/h13H,2-3H2,1H3
InChIKeyZBTIJZBFODKSDQ-UHFFFAOYSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 20776569) is 2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is CCOCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is ZBTIJZBFODKSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O2/c1-2-14-3-4(13,5(7,8)9)6(10,11)12/h13H,2-3H2,1H3.
What are the key properties of 2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 226.12 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 20776569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).