2-bromopropane

C3H7Br — CID 6358

IUPAC2-bromopropane
SMILESCC(C)Br
InChIInChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3
InChIKeyNAMYKGVDVNBCFQ-UHFFFAOYSA-N
MW122.99 g/mol
LogP1.79
Rot. Bonds

About 2-bromopropane

2-bromopropane (PubChem CID 6358) has the molecular formula C3H7Br and a molecular weight of 122.99 g/mol. Its IUPAC name is 2-bromopropane.

Molecular Properties

Compound Name2-bromopropane
PubChem CID6358
Molecular FormulaC3H7Br
Molecular Weight122.99 g/mol
Exact Mass121.97
IUPAC Name2-bromopropane
SMILESCC(C)Br
InChIInChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3
InChIKeyNAMYKGVDVNBCFQ-UHFFFAOYSA-N
XLogP1.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.99
LogP ≤ 51.79
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-bromopropane?
The IUPAC name of 2-bromopropane (CID 6358) is 2-bromopropane.
What is the SMILES notation for 2-bromopropane?
The canonical SMILES for 2-bromopropane is CC(C)Br.
What is the InChIKey of 2-bromopropane?
The InChIKey is NAMYKGVDVNBCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3.
What are the key properties of 2-bromopropane?
2-bromopropane has a molecular weight of 122.99 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopropane is sourced from PubChem (CID 6358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).