1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride

C14H24F10O2 — CID 174764379

IUPAC1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride
SMILESCCCCOCCCC.CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.F
InChIInChI=1S/C8H18O.C6H5F9O.FH/c1-3-5-7-9-8-6-4-2;1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13;/h3-8H2,1-2H3;2H2,1H3;1H
InChIKeyQDWOXBPPFLOMRJ-UHFFFAOYSA-N
MW414.32 g/mol
LogP6.20
Rot. Bonds10

About 1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride

1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride (PubChem CID 174764379) has the molecular formula C14H24F10O2 and a molecular weight of 414.32 g/mol. Its IUPAC name is 1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride.

Molecular Properties

Compound Name1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride
PubChem CID174764379
Molecular FormulaC14H24F10O2
Molecular Weight414.32 g/mol
Exact Mass414.16
IUPAC Name1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride
SMILESCCCCOCCCC.CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.F
InChIInChI=1S/C8H18O.C6H5F9O.FH/c1-3-5-7-9-8-6-4-2;1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13;/h3-8H2,1-2H3;2H2,1H3;1H
InChIKeyQDWOXBPPFLOMRJ-UHFFFAOYSA-N
XLogP6.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.32
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride?
The IUPAC name of 1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride (CID 174764379) is 1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride.
What is the SMILES notation for 1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride?
The canonical SMILES for 1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride is CCCCOCCCC.CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.F.
What is the InChIKey of 1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride?
The InChIKey is QDWOXBPPFLOMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C6H5F9O.FH/c1-3-5-7-9-8-6-4-2;1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13;/h3-8H2,1-2H3;2H2,1H3;1H.
What are the key properties of 1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride?
1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride has a molecular weight of 414.32 g/mol, XLogP of 6.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxybutane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane;hydrofluoride is sourced from PubChem (CID 174764379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).