2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane

C11H15F9O3 — CID 58820906

IUPAC2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane
SMILESCCOC(C)OC(OC(C)(F)C(C)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F9O3/c1-5-21-6(2)22-9(10(15,16)17,11(18,19)20)23-8(4,14)7(3,12)13/h6H,5H2,1-4H3
InChIKeyXORYXLIXIUJYAM-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.56
Rot. Bonds7

About 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane

2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane (PubChem CID 58820906) has the molecular formula C11H15F9O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane.

Molecular Properties

Compound Name2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane
PubChem CID58820906
Molecular FormulaC11H15F9O3
Molecular Weight366.22 g/mol
Exact Mass366.09
IUPAC Name2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane
SMILESCCOC(C)OC(OC(C)(F)C(C)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F9O3/c1-5-21-6(2)22-9(10(15,16)17,11(18,19)20)23-8(4,14)7(3,12)13/h6H,5H2,1-4H3
InChIKeyXORYXLIXIUJYAM-UHFFFAOYSA-N
XLogP4.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane?
The IUPAC name of 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane (CID 58820906) is 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane.
What is the SMILES notation for 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane?
The canonical SMILES for 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane is CCOC(C)OC(OC(C)(F)C(C)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane?
The InChIKey is XORYXLIXIUJYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F9O3/c1-5-21-6(2)22-9(10(15,16)17,11(18,19)20)23-8(4,14)7(3,12)13/h6H,5H2,1-4H3.
What are the key properties of 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane?
2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane has a molecular weight of 366.22 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane is sourced from PubChem (CID 58820906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).