1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane

C4H3Br2Cl2F3O — CID 10948225

IUPAC1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane
SMILESCOC(Cl)(Br)C(Cl)(Br)C(F)(F)F
InChIInChI=1S/C4H3Br2Cl2F3O/c1-12-3(6,8)2(5,7)4(9,10)11/h1H3
InChIKeyCUBVSMNKYJPGEZ-UHFFFAOYSA-N
MW354.78 g/mol
LogP3.81
Rot. Bonds2

About 1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane

1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane (PubChem CID 10948225) has the molecular formula C4H3Br2Cl2F3O and a molecular weight of 354.78 g/mol. Its IUPAC name is 1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane.

Molecular Properties

Compound Name1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane
PubChem CID10948225
Molecular FormulaC4H3Br2Cl2F3O
Molecular Weight354.78 g/mol
Exact Mass351.79
IUPAC Name1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane
SMILESCOC(Cl)(Br)C(Cl)(Br)C(F)(F)F
InChIInChI=1S/C4H3Br2Cl2F3O/c1-12-3(6,8)2(5,7)4(9,10)11/h1H3
InChIKeyCUBVSMNKYJPGEZ-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.78
LogP ≤ 53.81
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 1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane?
The IUPAC name of 1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane (CID 10948225) is 1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane.
What is the SMILES notation for 1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane?
The canonical SMILES for 1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane is COC(Cl)(Br)C(Cl)(Br)C(F)(F)F.
What is the InChIKey of 1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane?
The InChIKey is CUBVSMNKYJPGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Br2Cl2F3O/c1-12-3(6,8)2(5,7)4(9,10)11/h1H3.
What are the key properties of 1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane?
1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane has a molecular weight of 354.78 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-1,2-dichloro-3,3,3-trifluoro-1-methoxypropane is sourced from PubChem (CID 10948225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).