1,1-dibromo-1,3-dichloropropane

C3H4Br2Cl2 — CID 14366604

IUPAC1,1-dibromo-1,3-dichloropropane
SMILESClCCC(Cl)(Br)Br
InChIInChI=1S/C3H4Br2Cl2/c4-3(5,7)1-2-6/h1-2H2
InChIKeyOKFVIMXFYYDFAA-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.30
Rot. Bonds2

About 1,1-dibromo-1,3-dichloropropane

1,1-dibromo-1,3-dichloropropane (PubChem CID 14366604) has the molecular formula C3H4Br2Cl2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1,1-dibromo-1,3-dichloropropane.

Molecular Properties

Compound Name1,1-dibromo-1,3-dichloropropane
PubChem CID14366604
Molecular FormulaC3H4Br2Cl2
Molecular Weight270.78 g/mol
Exact Mass267.81
IUPAC Name1,1-dibromo-1,3-dichloropropane
SMILESClCCC(Cl)(Br)Br
InChIInChI=1S/C3H4Br2Cl2/c4-3(5,7)1-2-6/h1-2H2
InChIKeyOKFVIMXFYYDFAA-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dibromo-3-Chloropropane
CID 7280
1-Bromo-2,3-dichloropropane
CID 36306
1,2-Dibromo-2,3-dichloropropane
CID 144412
(S)-1,2-Dibromo-3-chloropropane
CID 154590
3-Bromo-1,1-dichloropropane
CID 37502
(R)-1,2-Dibromo-3-chloropropane
CID 154589
Dibromo-3-chloropropane
CID 15001198
1,3-Dibrom-3-chlorpropan
CID 12669916
1,1,3-Tribromo-3-chloropropane
CID 12669922
1,3-Dibromo-1,3-dichloropropane
CID 12669923
2,3-Dibromo-1,1-dichloropropane
CID 21679090
Propane-1,1,3,3-d4, 1,2-dibromo-3-chloro-
CID 188693

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-1,3-dichloropropane?
The IUPAC name of 1,1-dibromo-1,3-dichloropropane (CID 14366604) is 1,1-dibromo-1,3-dichloropropane.
What is the SMILES notation for 1,1-dibromo-1,3-dichloropropane?
The canonical SMILES for 1,1-dibromo-1,3-dichloropropane is ClCCC(Cl)(Br)Br.
What is the InChIKey of 1,1-dibromo-1,3-dichloropropane?
The InChIKey is OKFVIMXFYYDFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Br2Cl2/c4-3(5,7)1-2-6/h1-2H2.
What are the key properties of 1,1-dibromo-1,3-dichloropropane?
1,1-dibromo-1,3-dichloropropane has a molecular weight of 270.78 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-1,3-dichloropropane is sourced from PubChem (CID 14366604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).