2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane

C18H30F8O — CID 19782060

IUPAC2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane
SMILESCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCCCCC
InChIInChI=1S/C18H30F8O/c1-3-5-7-9-10-12-15(19,20)17(23,24)18(25,26)16(21,22)14-27-13-11-8-6-4-2/h3-14H2,1-2H3
InChIKeyWXOFUOOSGPASLB-UHFFFAOYSA-N
MW414.42 g/mol
LogP7.49
Rot. Bonds16

About 2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane

2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane (PubChem CID 19782060) has the molecular formula C18H30F8O and a molecular weight of 414.42 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane
PubChem CID19782060
Molecular FormulaC18H30F8O
Molecular Weight414.42 g/mol
Exact Mass414.22
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane
SMILESCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCCCCC
InChIInChI=1S/C18H30F8O/c1-3-5-7-9-10-12-15(19,20)17(23,24)18(25,26)16(21,22)14-27-13-11-8-6-4-2/h3-14H2,1-2H3
InChIKeyWXOFUOOSGPASLB-UHFFFAOYSA-N
XLogP7.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.42
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane (CID 19782060) is 2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane is CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCCCCC.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane?
The InChIKey is WXOFUOOSGPASLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F8O/c1-3-5-7-9-10-12-15(19,20)17(23,24)18(25,26)16(21,22)14-27-13-11-8-6-4-2/h3-14H2,1-2H3.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane?
2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane has a molecular weight of 414.42 g/mol, XLogP of 7.49, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-1-hexoxydodecane is sourced from PubChem (CID 19782060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).