1,1-dibromo-4-chlorobutan-1-ol

C4H7Br2ClO — CID 54470219

IUPAC1,1-dibromo-4-chlorobutan-1-ol
SMILESOC(Br)(Br)CCCCl
InChIInChI=1S/C4H7Br2ClO/c5-4(6,8)2-1-3-7/h8H,1-3H2
InChIKeyVNUMIHLZEWGNNZ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.44
Rot. Bonds3

About 1,1-dibromo-4-chlorobutan-1-ol

1,1-dibromo-4-chlorobutan-1-ol (PubChem CID 54470219) has the molecular formula C4H7Br2ClO and a molecular weight of 266.36 g/mol. Its IUPAC name is 1,1-dibromo-4-chlorobutan-1-ol.

Molecular Properties

Compound Name1,1-dibromo-4-chlorobutan-1-ol
PubChem CID54470219
Molecular FormulaC4H7Br2ClO
Molecular Weight266.36 g/mol
Exact Mass263.86
IUPAC Name1,1-dibromo-4-chlorobutan-1-ol
SMILESOC(Br)(Br)CCCCl
InChIInChI=1S/C4H7Br2ClO/c5-4(6,8)2-1-3-7/h8H,1-3H2
InChIKeyVNUMIHLZEWGNNZ-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
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 1,1-dibromo-4-chlorobutan-1-ol?
The IUPAC name of 1,1-dibromo-4-chlorobutan-1-ol (CID 54470219) is 1,1-dibromo-4-chlorobutan-1-ol.
What is the SMILES notation for 1,1-dibromo-4-chlorobutan-1-ol?
The canonical SMILES for 1,1-dibromo-4-chlorobutan-1-ol is OC(Br)(Br)CCCCl.
What is the InChIKey of 1,1-dibromo-4-chlorobutan-1-ol?
The InChIKey is VNUMIHLZEWGNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Br2ClO/c5-4(6,8)2-1-3-7/h8H,1-3H2.
What are the key properties of 1,1-dibromo-4-chlorobutan-1-ol?
1,1-dibromo-4-chlorobutan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-4-chlorobutan-1-ol is sourced from PubChem (CID 54470219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).