2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol

C12H20F6O2 — CID 149237308

IUPAC2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol
SMILESCCC(C)(C(O)OC(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H20F6O2/c1-6-10(5,9(2,3)4)8(19)20-7(11(13,14)15)12(16,17)18/h7-8,19H,6H2,1-5H3
InChIKeyXLMBPAHIGGHSLI-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.28
Rot. Bonds4

About 2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol

2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol (PubChem CID 149237308) has the molecular formula C12H20F6O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol
PubChem CID149237308
Molecular FormulaC12H20F6O2
Molecular Weight310.28 g/mol
Exact Mass310.14
IUPAC Name2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol
SMILESCCC(C)(C(O)OC(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H20F6O2/c1-6-10(5,9(2,3)4)8(19)20-7(11(13,14)15)12(16,17)18/h7-8,19H,6H2,1-5H3
InChIKeyXLMBPAHIGGHSLI-UHFFFAOYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol?
The IUPAC name of 2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol (CID 149237308) is 2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol.
What is the SMILES notation for 2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol?
The canonical SMILES for 2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol is CCC(C)(C(O)OC(C(F)(F)F)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol?
The InChIKey is XLMBPAHIGGHSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6O2/c1-6-10(5,9(2,3)4)8(19)20-7(11(13,14)15)12(16,17)18/h7-8,19H,6H2,1-5H3.
What are the key properties of 2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol?
2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol has a molecular weight of 310.28 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,3-trimethylbutan-1-ol is sourced from PubChem (CID 149237308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).