7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane

C16H32F2O — CID 58275561

IUPAC7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane
SMILESCC(C)OCC(C)(C)CCCCC(F)(F)C(C)(C)C
InChIInChI=1S/C16H32F2O/c1-13(2)19-12-15(6,7)10-8-9-11-16(17,18)14(3,4)5/h13H,8-12H2,1-7H3
InChIKeyOYWXFSXVNSVHPC-UHFFFAOYSA-N
MW278.43 g/mol
LogP5.68
Rot. Bonds8

About 7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane

7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane (PubChem CID 58275561) has the molecular formula C16H32F2O and a molecular weight of 278.43 g/mol. Its IUPAC name is 7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane.

Molecular Properties

Compound Name7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane
PubChem CID58275561
Molecular FormulaC16H32F2O
Molecular Weight278.43 g/mol
Exact Mass278.24
IUPAC Name7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane
SMILESCC(C)OCC(C)(C)CCCCC(F)(F)C(C)(C)C
InChIInChI=1S/C16H32F2O/c1-13(2)19-12-15(6,7)10-8-9-11-16(17,18)14(3,4)5/h13H,8-12H2,1-7H3
InChIKeyOYWXFSXVNSVHPC-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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

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
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
1-(6,6-Difluoro-7-methyloctyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275562
2,2-Difluoro-6-methyl-1-propan-2-yloxyheptane
CID 58275563
2,2-Difluoro-8,8-dimethyl-1-propan-2-yloxynonane
CID 58275565
1-(6,6-Difluoro-7-methyloctyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275566
6,6-Difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane
CID 58275567
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopentane
CID 58275568

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane?
The IUPAC name of 7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane (CID 58275561) is 7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane.
What is the SMILES notation for 7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane?
The canonical SMILES for 7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane is CC(C)OCC(C)(C)CCCCC(F)(F)C(C)(C)C.
What is the InChIKey of 7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane?
The InChIKey is OYWXFSXVNSVHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32F2O/c1-13(2)19-12-15(6,7)10-8-9-11-16(17,18)14(3,4)5/h13H,8-12H2,1-7H3.
What are the key properties of 7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane?
7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane has a molecular weight of 278.43 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane is sourced from PubChem (CID 58275561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).