1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane

C13H24F2O — CID 118288253

IUPAC1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane
SMILESCC1CCC(COC(F)(F)C(C)C)C(C)C1
InChIInChI=1S/C13H24F2O/c1-9(2)13(14,15)16-8-12-6-5-10(3)7-11(12)4/h9-12H,5-8H2,1-4H3
InChIKeyXEGQXFMXKVXUCB-UHFFFAOYSA-N
MW234.33 g/mol
LogP4.32
Rot. Bonds4

About 1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane

1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane (PubChem CID 118288253) has the molecular formula C13H24F2O and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane.

Molecular Properties

Compound Name1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane
PubChem CID118288253
Molecular FormulaC13H24F2O
Molecular Weight234.33 g/mol
Exact Mass234.18
IUPAC Name1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane
SMILESCC1CCC(COC(F)(F)C(C)C)C(C)C1
InChIInChI=1S/C13H24F2O/c1-9(2)13(14,15)16-8-12-6-5-10(3)7-11(12)4/h9-12H,5-8H2,1-4H3
InChIKeyXEGQXFMXKVXUCB-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane?
The IUPAC name of 1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane (CID 118288253) is 1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane.
What is the SMILES notation for 1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane?
The canonical SMILES for 1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane is CC1CCC(COC(F)(F)C(C)C)C(C)C1.
What is the InChIKey of 1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane?
The InChIKey is XEGQXFMXKVXUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2O/c1-9(2)13(14,15)16-8-12-6-5-10(3)7-11(12)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane?
1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane has a molecular weight of 234.33 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-difluoro-2-methylpropoxy)methyl]-2,4-dimethylcyclohexane is sourced from PubChem (CID 118288253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).