8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane

C16H32F2O — CID 58275583

IUPAC8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane
SMILESCC(C)OCC(C)(C)CCCCCC(F)(F)C(C)C
InChIInChI=1S/C16H32F2O/c1-13(2)16(17,18)11-9-7-8-10-15(5,6)12-19-14(3)4/h13-14H,7-12H2,1-6H3
InChIKeyNTMYXKZXDWIPQD-UHFFFAOYSA-N
MW278.43 g/mol
LogP5.68
Rot. Bonds10

About 8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane

8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane (PubChem CID 58275583) has the molecular formula C16H32F2O and a molecular weight of 278.43 g/mol. Its IUPAC name is 8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane.

Molecular Properties

Compound Name8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane
PubChem CID58275583
Molecular FormulaC16H32F2O
Molecular Weight278.43 g/mol
Exact Mass278.24
IUPAC Name8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane
SMILESCC(C)OCC(C)(C)CCCCCC(F)(F)C(C)C
InChIInChI=1S/C16H32F2O/c1-13(2)16(17,18)11-9-7-8-10-15(5,6)12-19-14(3)4/h13-14H,7-12H2,1-6H3
InChIKeyNTMYXKZXDWIPQD-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.43
LogP ≤ 55.68
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

Perfluorohexylethyl dimethylbutyl ether
CID 10874009
Difluorothromboxane
CID 129674200
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-(4-methylpentan-2-yloxy)decane
CID 18787828
2-[1,3-Difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane
CID 18998992
1,1,1-Trifluoro-2-(octoxymethyl)heptane
CID 22002805
12-(1,1,2,2-Tetrafluoroethoxymethyl)pentacosane
CID 53946168
9-[(1,1,2,2-Tetrafluoroethoxy)methyl]nonadecane
CID 54339885
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-methyl-7-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methylnonan-3-yl)oxynonane
CID 56999091
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
1-(6,6-Difluoro-7-methyloctyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275562
2,2-Difluoro-6-methyl-1-propan-2-yloxyheptane
CID 58275563

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane?
The IUPAC name of 8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane (CID 58275583) is 8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane.
What is the SMILES notation for 8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane?
The canonical SMILES for 8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane is CC(C)OCC(C)(C)CCCCCC(F)(F)C(C)C.
What is the InChIKey of 8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane?
The InChIKey is NTMYXKZXDWIPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32F2O/c1-13(2)16(17,18)11-9-7-8-10-15(5,6)12-19-14(3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of 8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane?
8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane has a molecular weight of 278.43 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane is sourced from PubChem (CID 58275583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).