1,1-dibromo-3-chloropropane

C3H5Br2Cl — CID 15001198

IUPAC1,1-dibromo-3-chloropropane
SMILESClCCC(Br)Br
InChIInChI=1S/C3H5Br2Cl/c4-3(5)1-2-6/h3H,1-2H2
InChIKeyAFWORUPBMQTQPY-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.73
Rot. Bonds2

About 1,1-dibromo-3-chloropropane

1,1-dibromo-3-chloropropane (PubChem CID 15001198) has the molecular formula C3H5Br2Cl and a molecular weight of 236.33 g/mol. Its IUPAC name is 1,1-dibromo-3-chloropropane.

Molecular Properties

Compound Name1,1-dibromo-3-chloropropane
PubChem CID15001198
Molecular FormulaC3H5Br2Cl
Molecular Weight236.33 g/mol
Exact Mass233.84
IUPAC Name1,1-dibromo-3-chloropropane
SMILESClCCC(Br)Br
InChIInChI=1S/C3H5Br2Cl/c4-3(5)1-2-6/h3H,1-2H2
InChIKeyAFWORUPBMQTQPY-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.73
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-3-chloropropane
CID 8006
1-Bromo-2,3-dichloropropane
CID 36306
1,2-Dibromo-2,3-dichloropropane
CID 144412
Propane, 2-chloro-1,3-dibromo-
CID 148538
(S)-1,2-Dibromo-3-chloropropane
CID 154590
3-Bromo-1,1-dichloropropane
CID 37502
(R)-1,2-Dibromo-3-chloropropane
CID 154589
Propane, bromochloro-
CID 36872
1,2-Dibromo-4-chlorobutane
CID 122981
1,1-Dibromo-2-chloropropane
CID 41341
1-Bromo-3-chloro-2-fluoropropane
CID 12759422

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-3-chloropropane?
The IUPAC name of 1,1-dibromo-3-chloropropane (CID 15001198) is 1,1-dibromo-3-chloropropane.
What is the SMILES notation for 1,1-dibromo-3-chloropropane?
The canonical SMILES for 1,1-dibromo-3-chloropropane is ClCCC(Br)Br.
What is the InChIKey of 1,1-dibromo-3-chloropropane?
The InChIKey is AFWORUPBMQTQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Br2Cl/c4-3(5)1-2-6/h3H,1-2H2.
What are the key properties of 1,1-dibromo-3-chloropropane?
1,1-dibromo-3-chloropropane has a molecular weight of 236.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-3-chloropropane is sourced from PubChem (CID 15001198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).