2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane

C12H15F11O — CID 19761925

IUPAC2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane
SMILESCCOC(F)(C(F)(F)F)C(F)(C(C)C)C(C)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F11O/c1-5-24-10(17,12(21,22)23)8(14,6(2)3)7(4,13)9(15,16)11(18,19)20/h6H,5H2,1-4H3
InChIKeyVCOOPDZOHHSMKD-UHFFFAOYSA-N
MW384.23 g/mol
LogP5.54
Rot. Bonds6

About 2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane

2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane (PubChem CID 19761925) has the molecular formula C12H15F11O and a molecular weight of 384.23 g/mol. Its IUPAC name is 2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane.

Molecular Properties

Compound Name2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane
PubChem CID19761925
Molecular FormulaC12H15F11O
Molecular Weight384.23 g/mol
Exact Mass384.09
IUPAC Name2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane
SMILESCCOC(F)(C(F)(F)F)C(F)(C(C)C)C(C)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F11O/c1-5-24-10(17,12(21,22)23)8(14,6(2)3)7(4,13)9(15,16)11(18,19)20/h6H,5H2,1-4H3
InChIKeyVCOOPDZOHHSMKD-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.23
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane?
The IUPAC name of 2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane (CID 19761925) is 2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane.
What is the SMILES notation for 2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane?
The canonical SMILES for 2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane is CCOC(F)(C(F)(F)F)C(F)(C(C)C)C(C)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane?
The InChIKey is VCOOPDZOHHSMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F11O/c1-5-24-10(17,12(21,22)23)8(14,6(2)3)7(4,13)9(15,16)11(18,19)20/h6H,5H2,1-4H3.
What are the key properties of 2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane?
2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane has a molecular weight of 384.23 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane is sourced from PubChem (CID 19761925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).