1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane

C8H16F2O — CID 88885879

IUPAC1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)OC(F)C(C)(C)F
InChIInChI=1S/C8H16F2O/c1-7(2,3)11-6(9)8(4,5)10/h6H,1-5H3
InChIKeyJIZSTLLPPKYNPV-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.85
Rot. Bonds2

About 1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane

1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane (PubChem CID 88885879) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane.

Molecular Properties

Compound Name1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane
PubChem CID88885879
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)OC(F)C(C)(C)F
InChIInChI=1S/C8H16F2O/c1-7(2,3)11-6(9)8(4,5)10/h6H,1-5H3
InChIKeyJIZSTLLPPKYNPV-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane?
The IUPAC name of 1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane (CID 88885879) is 1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane.
What is the SMILES notation for 1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane?
The canonical SMILES for 1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane is CC(C)(C)OC(F)C(C)(C)F.
What is the InChIKey of 1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane?
The InChIKey is JIZSTLLPPKYNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O/c1-7(2,3)11-6(9)8(4,5)10/h6H,1-5H3.
What are the key properties of 1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane?
1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane has a molecular weight of 166.21 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propane is sourced from PubChem (CID 88885879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).