prop-1-ene;dihydrobromide

C3H8Br2 — CID 87085465

IUPACprop-1-ene;dihydrobromide
SMILESBr.Br.C=CC
InChIInChI=1S/C3H6.2BrH/c1-3-2;;/h3H,1H2,2H3;2*1H
InChIKeyLFSNXAQQLFKYFY-UHFFFAOYSA-N
MW203.90 g/mol
LogP2.35
Rot. Bonds

About prop-1-ene;dihydrobromide

prop-1-ene;dihydrobromide (PubChem CID 87085465) has the molecular formula C3H8Br2 and a molecular weight of 203.90 g/mol. Its IUPAC name is prop-1-ene;dihydrobromide.

Molecular Properties

Compound Nameprop-1-ene;dihydrobromide
PubChem CID87085465
Molecular FormulaC3H8Br2
Molecular Weight203.90 g/mol
Exact Mass201.90
IUPAC Nameprop-1-ene;dihydrobromide
SMILESBr.Br.C=CC
InChIInChI=1S/C3H6.2BrH/c1-3-2;;/h3H,1H2,2H3;2*1H
InChIKeyLFSNXAQQLFKYFY-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.90
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-1-ene;dihydrobromide?
The IUPAC name of prop-1-ene;dihydrobromide (CID 87085465) is prop-1-ene;dihydrobromide.
What is the SMILES notation for prop-1-ene;dihydrobromide?
The canonical SMILES for prop-1-ene;dihydrobromide is Br.Br.C=CC.
What is the InChIKey of prop-1-ene;dihydrobromide?
The InChIKey is LFSNXAQQLFKYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.2BrH/c1-3-2;;/h3H,1H2,2H3;2*1H.
What are the key properties of prop-1-ene;dihydrobromide?
prop-1-ene;dihydrobromide has a molecular weight of 203.90 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;dihydrobromide is sourced from PubChem (CID 87085465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).