2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C8H12F6O2 — CID 59169353

IUPAC2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)OCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-3-5(2)16-4-6(15,7(9,10)11)8(12,13)14/h5,15H,3-4H2,1-2H3
InChIKeyFSLNCQGWNVQVNZ-UHFFFAOYSA-N
MW254.17 g/mol
LogP2.66
Rot. Bonds4

About 2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 59169353) has the molecular formula C8H12F6O2 and a molecular weight of 254.17 g/mol. Its IUPAC name is 2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID59169353
Molecular FormulaC8H12F6O2
Molecular Weight254.17 g/mol
Exact Mass254.07
IUPAC Name2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)OCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-3-5(2)16-4-6(15,7(9,10)11)8(12,13)14/h5,15H,3-4H2,1-2H3
InChIKeyFSLNCQGWNVQVNZ-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 59169353) is 2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is CCC(C)OCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is FSLNCQGWNVQVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O2/c1-3-5(2)16-4-6(15,7(9,10)11)8(12,13)14/h5,15H,3-4H2,1-2H3.
What are the key properties of 2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 254.17 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 59169353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).