2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane

C12H24F2O — CID 58275595

IUPAC2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane
SMILESCC(C)(C)CCC(F)(F)COC(C)(C)C
InChIInChI=1S/C12H24F2O/c1-10(2,3)7-8-12(13,14)9-15-11(4,5)6/h7-9H2,1-6H3
InChIKeyLBHYKZLWLXXLET-UHFFFAOYSA-N
MW222.32 g/mol
LogP4.26
Rot. Bonds4

About 2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane

2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane (PubChem CID 58275595) has the molecular formula C12H24F2O and a molecular weight of 222.32 g/mol. Its IUPAC name is 2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane.

Molecular Properties

Compound Name2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane
PubChem CID58275595
Molecular FormulaC12H24F2O
Molecular Weight222.32 g/mol
Exact Mass222.18
IUPAC Name2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane
SMILESCC(C)(C)CCC(F)(F)COC(C)(C)C
InChIInChI=1S/C12H24F2O/c1-10(2,3)7-8-12(13,14)9-15-11(4,5)6/h7-9H2,1-6H3
InChIKeyLBHYKZLWLXXLET-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane?
The IUPAC name of 2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane (CID 58275595) is 2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane.
What is the SMILES notation for 2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane?
The canonical SMILES for 2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane is CC(C)(C)CCC(F)(F)COC(C)(C)C.
What is the InChIKey of 2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane?
The InChIKey is LBHYKZLWLXXLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2O/c1-10(2,3)7-8-12(13,14)9-15-11(4,5)6/h7-9H2,1-6H3.
What are the key properties of 2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane?
2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane has a molecular weight of 222.32 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane is sourced from PubChem (CID 58275595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).