1-ethoxy-2,2-difluoro-8,8-dimethylnonane

C13H26F2O — CID 118527059

IUPAC1-ethoxy-2,2-difluoro-8,8-dimethylnonane
SMILESCCOCC(F)(F)CCCCCC(C)(C)C
InChIInChI=1S/C13H26F2O/c1-5-16-11-13(14,15)10-8-6-7-9-12(2,3)4/h5-11H2,1-4H3
InChIKeyDGNPVVPSXOQKHK-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.65
Rot. Bonds8

About 1-ethoxy-2,2-difluoro-8,8-dimethylnonane

1-ethoxy-2,2-difluoro-8,8-dimethylnonane (PubChem CID 118527059) has the molecular formula C13H26F2O and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-ethoxy-2,2-difluoro-8,8-dimethylnonane.

Molecular Properties

Compound Name1-ethoxy-2,2-difluoro-8,8-dimethylnonane
PubChem CID118527059
Molecular FormulaC13H26F2O
Molecular Weight236.35 g/mol
Exact Mass236.20
IUPAC Name1-ethoxy-2,2-difluoro-8,8-dimethylnonane
SMILESCCOCC(F)(F)CCCCCC(C)(C)C
InChIInChI=1S/C13H26F2O/c1-5-16-11-13(14,15)10-8-6-7-9-12(2,3)4/h5-11H2,1-4H3
InChIKeyDGNPVVPSXOQKHK-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)(3,5,5-trimethylhexyl) ether
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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,2-difluoro-8,8-dimethylnonane?
The IUPAC name of 1-ethoxy-2,2-difluoro-8,8-dimethylnonane (CID 118527059) is 1-ethoxy-2,2-difluoro-8,8-dimethylnonane.
What is the SMILES notation for 1-ethoxy-2,2-difluoro-8,8-dimethylnonane?
The canonical SMILES for 1-ethoxy-2,2-difluoro-8,8-dimethylnonane is CCOCC(F)(F)CCCCCC(C)(C)C.
What is the InChIKey of 1-ethoxy-2,2-difluoro-8,8-dimethylnonane?
The InChIKey is DGNPVVPSXOQKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2O/c1-5-16-11-13(14,15)10-8-6-7-9-12(2,3)4/h5-11H2,1-4H3.
What are the key properties of 1-ethoxy-2,2-difluoro-8,8-dimethylnonane?
1-ethoxy-2,2-difluoro-8,8-dimethylnonane has a molecular weight of 236.35 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,2-difluoro-8,8-dimethylnonane is sourced from PubChem (CID 118527059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).