2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane

C11H13F11O — CID 19761930

IUPAC2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane
SMILESCCOC(F)(C(F)(F)F)C(F)(F)C(C)(CC)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F11O/c1-4-6(3,8(14,15)10(17,18)19)7(12,13)9(16,23-5-2)11(20,21)22/h4-5H2,1-3H3
InChIKeyQEIPURRNTVMGIB-UHFFFAOYSA-N
MW370.20 g/mol
LogP5.50
Rot. Bonds6

About 2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane

2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane (PubChem CID 19761930) has the molecular formula C11H13F11O and a molecular weight of 370.20 g/mol. Its IUPAC name is 2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane.

Molecular Properties

Compound Name2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane
PubChem CID19761930
Molecular FormulaC11H13F11O
Molecular Weight370.20 g/mol
Exact Mass370.08
IUPAC Name2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane
SMILESCCOC(F)(C(F)(F)F)C(F)(F)C(C)(CC)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F11O/c1-4-6(3,8(14,15)10(17,18)19)7(12,13)9(16,23-5-2)11(20,21)22/h4-5H2,1-3H3
InChIKeyQEIPURRNTVMGIB-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.20
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,3,3-Trifluoro-2,4,4-tris(trifluoromethyl)tetrahydro-2H-pyran
CID 12730904
2-Fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane
CID 12730902
2-Ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane
CID 19761925
3-Ethyl-1,1,1,2,2,4,4,5,6,6,6-undecafluoro-5-methoxy-3-methylhexane
CID 19761953
1-Ethoxy-1,1,2,2,3,4,4,5,5-nonafluoro-3-(trifluoromethyl)hexane
CID 22088870
4-Ethyl-3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane
CID 57682174
3,3-Difluoro-2,4,4-trimethyl-2-(trifluoromethyl)oxolane
CID 57682214
(4R)-2,4-dimethyl-2,4-bis(trifluoromethyl)oxane
CID 57682225
4-Ethyl-3,3-difluoro-2-methyl-2,4-bis(trifluoromethyl)oxolane
CID 57682266
3-Ethyl-1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]pentane
CID 58275076
2,4,4-Trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane
CID 58637699
1-(1,1-Difluoropropoxy)-4,4-difluoro-3-(trifluoromethyl)hexane
CID 59172657

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane?
The IUPAC name of 2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane (CID 19761930) is 2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane.
What is the SMILES notation for 2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane?
The canonical SMILES for 2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane is CCOC(F)(C(F)(F)F)C(F)(F)C(C)(CC)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane?
The InChIKey is QEIPURRNTVMGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F11O/c1-4-6(3,8(14,15)10(17,18)19)7(12,13)9(16,23-5-2)11(20,21)22/h4-5H2,1-3H3.
What are the key properties of 2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane?
2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane has a molecular weight of 370.20 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane is sourced from PubChem (CID 19761930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).