2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane

C7H8Br2F6O — CID 170218800

IUPAC2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane
SMILESCC(OC(CBr)CBr)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8Br2F6O/c1-5(6(10,11)12,7(13,14)15)16-4(2-8)3-9/h4H,2-3H2,1H3
InChIKeyANUVXCCHGOKQBA-UHFFFAOYSA-N
MW381.94 g/mol
LogP4.04
Rot. Bonds4

About 2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane

2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane (PubChem CID 170218800) has the molecular formula C7H8Br2F6O and a molecular weight of 381.94 g/mol. Its IUPAC name is 2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane.

Molecular Properties

Compound Name2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane
PubChem CID170218800
Molecular FormulaC7H8Br2F6O
Molecular Weight381.94 g/mol
Exact Mass379.88
IUPAC Name2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane
SMILESCC(OC(CBr)CBr)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8Br2F6O/c1-5(6(10,11)12,7(13,14)15)16-4(2-8)3-9/h4H,2-3H2,1H3
InChIKeyANUVXCCHGOKQBA-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.94
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane?
The IUPAC name of 2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane (CID 170218800) is 2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane.
What is the SMILES notation for 2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane?
The canonical SMILES for 2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane is CC(OC(CBr)CBr)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane?
The InChIKey is ANUVXCCHGOKQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2F6O/c1-5(6(10,11)12,7(13,14)15)16-4(2-8)3-9/h4H,2-3H2,1H3.
What are the key properties of 2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane?
2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane has a molecular weight of 381.94 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dibromopropan-2-yloxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane is sourced from PubChem (CID 170218800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).