2-bromo-1-chloropropane

C3H6BrCl — CID 18175

IUPAC2-bromo-1-chloropropane
SMILESCC(Br)CCl
InChIInChI=1S/C3H6BrCl/c1-3(4)2-5/h3H,2H2,1H3
InChIKeyPUJJZGFFAQHYEX-UHFFFAOYSA-N
MW157.44 g/mol
LogP2.01
Rot. Bonds1

About 2-bromo-1-chloropropane

2-bromo-1-chloropropane (PubChem CID 18175) has the molecular formula C3H6BrCl and a molecular weight of 157.44 g/mol. Its IUPAC name is 2-bromo-1-chloropropane.

Molecular Properties

Compound Name2-bromo-1-chloropropane
PubChem CID18175
Molecular FormulaC3H6BrCl
Molecular Weight157.44 g/mol
Exact Mass155.93
IUPAC Name2-bromo-1-chloropropane
SMILESCC(Br)CCl
InChIInChI=1S/C3H6BrCl/c1-3(4)2-5/h3H,2H2,1H3
InChIKeyPUJJZGFFAQHYEX-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.44
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-bromo-1-chloropropane?
The IUPAC name of 2-bromo-1-chloropropane (CID 18175) is 2-bromo-1-chloropropane.
What is the SMILES notation for 2-bromo-1-chloropropane?
The canonical SMILES for 2-bromo-1-chloropropane is CC(Br)CCl.
What is the InChIKey of 2-bromo-1-chloropropane?
The InChIKey is PUJJZGFFAQHYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BrCl/c1-3(4)2-5/h3H,2H2,1H3.
What are the key properties of 2-bromo-1-chloropropane?
2-bromo-1-chloropropane has a molecular weight of 157.44 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-chloropropane is sourced from PubChem (CID 18175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).