1,2-difluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane

C8H16F2O — CID 88885880

IUPAC1,2-difluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(F)(CF)COC(C)(C)C
InChIInChI=1S/C8H16F2O/c1-7(2,3)11-6-8(4,10)5-9/h5-6H2,1-4H3
InChIKeyUJRWYPKWGSGLHM-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.50
Rot. Bonds3

About 1,2-difluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane

1,2-difluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane (PubChem CID 88885880) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 1,2-difluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane.

Molecular Properties

Compound Name1,2-difluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
PubChem CID88885880
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name1,2-difluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(F)(CF)COC(C)(C)C
InChIInChI=1S/C8H16F2O/c1-7(2,3)11-6-8(4,10)5-9/h5-6H2,1-4H3
InChIKeyUJRWYPKWGSGLHM-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.50
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-3-[(2-methylpropan-2-yl)oxy]propane?
The IUPAC name of 1,2-difluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane (CID 88885880) is 1,2-difluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane.
What is the SMILES notation for 1,2-difluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane?
The canonical SMILES for 1,2-difluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane is CC(F)(CF)COC(C)(C)C.
What is the InChIKey of 1,2-difluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane?
The InChIKey is UJRWYPKWGSGLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O/c1-7(2,3)11-6-8(4,10)5-9/h5-6H2,1-4H3.
What are the key properties of 1,2-difluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane?
1,2-difluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane has a molecular weight of 166.21 g/mol, XLogP of 2.50, 3 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-3-[(2-methylpropan-2-yl)oxy]propane is sourced from PubChem (CID 88885880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).