2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane

C14H28F2O — CID 58275565

IUPAC2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane
SMILESCC(C)OCC(F)(F)CCCCCC(C)(C)C
InChIInChI=1S/C14H28F2O/c1-12(2)17-11-14(15,16)10-8-6-7-9-13(3,4)5/h12H,6-11H2,1-5H3
InChIKeyRVRKRPWLFCEULN-UHFFFAOYSA-N
MW250.37 g/mol
LogP5.04
Rot. Bonds8

About 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane

2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane (PubChem CID 58275565) has the molecular formula C14H28F2O and a molecular weight of 250.37 g/mol. Its IUPAC name is 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane.

Molecular Properties

Compound Name2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane
PubChem CID58275565
Molecular FormulaC14H28F2O
Molecular Weight250.37 g/mol
Exact Mass250.21
IUPAC Name2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane
SMILESCC(C)OCC(F)(F)CCCCCC(C)(C)C
InChIInChI=1S/C14H28F2O/c1-12(2)17-11-14(15,16)10-8-6-7-9-13(3,4)5/h12H,6-11H2,1-5H3
InChIKeyRVRKRPWLFCEULN-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.37
LogP ≤ 55.04
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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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
10-Ethoxy-1-fluoro-2,2-bis(fluoromethyl)decan-3-ol
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8-Ethoxy-1-fluoro-2,2-bis(fluoromethyl)octan-3-ol
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2-[1,3-Difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane
CID 18998992
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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
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[2-(Butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 57806697
1-(4,4-Difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275558
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CID 58275561

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane?
The IUPAC name of 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane (CID 58275565) is 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane.
What is the SMILES notation for 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane?
The canonical SMILES for 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane is CC(C)OCC(F)(F)CCCCCC(C)(C)C.
What is the InChIKey of 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane?
The InChIKey is RVRKRPWLFCEULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2O/c1-12(2)17-11-14(15,16)10-8-6-7-9-13(3,4)5/h12H,6-11H2,1-5H3.
What are the key properties of 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane?
2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane has a molecular weight of 250.37 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynonane is sourced from PubChem (CID 58275565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).