1-bromopropane;hydrobromide

C3H8Br2 — CID 141072215

IUPAC1-bromopropane;hydrobromide
SMILESBr.CCCBr
InChIInChI=1S/C3H7Br.BrH/c1-2-3-4;/h2-3H2,1H3;1H
InChIKeyZQIQOUNLJRCIJD-UHFFFAOYSA-N
MW203.90 g/mol
LogP2.37
Rot. Bonds1

About 1-bromopropane;hydrobromide

1-bromopropane;hydrobromide (PubChem CID 141072215) has the molecular formula C3H8Br2 and a molecular weight of 203.90 g/mol. Its IUPAC name is 1-bromopropane;hydrobromide.

Molecular Properties

Compound Name1-bromopropane;hydrobromide
PubChem CID141072215
Molecular FormulaC3H8Br2
Molecular Weight203.90 g/mol
Exact Mass201.90
IUPAC Name1-bromopropane;hydrobromide
SMILESBr.CCCBr
InChIInChI=1S/C3H7Br.BrH/c1-2-3-4;/h2-3H2,1H3;1H
InChIKeyZQIQOUNLJRCIJD-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.90
LogP ≤ 52.37
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

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Frequently Asked Questions

What is the IUPAC name of 1-bromopropane;hydrobromide?
The IUPAC name of 1-bromopropane;hydrobromide (CID 141072215) is 1-bromopropane;hydrobromide.
What is the SMILES notation for 1-bromopropane;hydrobromide?
The canonical SMILES for 1-bromopropane;hydrobromide is Br.CCCBr.
What is the InChIKey of 1-bromopropane;hydrobromide?
The InChIKey is ZQIQOUNLJRCIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Br.BrH/c1-2-3-4;/h2-3H2,1H3;1H.
What are the key properties of 1-bromopropane;hydrobromide?
1-bromopropane;hydrobromide has a molecular weight of 203.90 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopropane;hydrobromide is sourced from PubChem (CID 141072215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).