1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane

C15H30F2O — CID 118527067

IUPAC1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane
SMILESCCOCC(C)(C)CCCCC(F)(F)C(C)(C)C
InChIInChI=1S/C15H30F2O/c1-7-18-12-14(5,6)10-8-9-11-15(16,17)13(2,3)4/h7-12H2,1-6H3
InChIKeyRSPVZLSUKLOAOA-UHFFFAOYSA-N
MW264.40 g/mol
LogP5.29
Rot. Bonds8

About 1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane

1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane (PubChem CID 118527067) has the molecular formula C15H30F2O and a molecular weight of 264.40 g/mol. Its IUPAC name is 1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane.

Molecular Properties

Compound Name1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane
PubChem CID118527067
Molecular FormulaC15H30F2O
Molecular Weight264.40 g/mol
Exact Mass264.23
IUPAC Name1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane
SMILESCCOCC(C)(C)CCCCC(F)(F)C(C)(C)C
InChIInChI=1S/C15H30F2O/c1-7-18-12-14(5,6)10-8-9-11-15(16,17)13(2,3)4/h7-12H2,1-6H3
InChIKeyRSPVZLSUKLOAOA-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.40
LogP ≤ 55.29
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
CID 18787824
2-[1,3-Difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane
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1-[2-(Trifluoromethyl)butoxy]octane
CID 22002869
2-(Ethoxymethyl)-1,1,1-trifluoroheptane
CID 22002874
1,1,1-Trifluoro-2-(hexoxymethyl)heptane
CID 22002924
2-(Butoxymethyl)-1,1,1-trifluoroheptane
CID 22002968
1-(4,4-Difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275558
7,7-Difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane
CID 58275561
2,2-Difluoro-8,8-dimethyl-1-propan-2-yloxynonane
CID 58275565
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CID 58275567

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane?
The IUPAC name of 1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane (CID 118527067) is 1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane.
What is the SMILES notation for 1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane?
The canonical SMILES for 1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane is CCOCC(C)(C)CCCCC(F)(F)C(C)(C)C.
What is the InChIKey of 1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane?
The InChIKey is RSPVZLSUKLOAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2O/c1-7-18-12-14(5,6)10-8-9-11-15(16,17)13(2,3)4/h7-12H2,1-6H3.
What are the key properties of 1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane?
1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane has a molecular weight of 264.40 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-7,7-difluoro-2,2,8,8-tetramethylnonane is sourced from PubChem (CID 118527067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).