1-bromopropane

C3H7Br — CID 7840

IUPAC1-bromopropane
SMILESCCCBr
InChIInChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
InChIKeyCYNYIHKIEHGYOZ-UHFFFAOYSA-N
MW122.99 g/mol
LogP1.79
Rot. Bonds1

About 1-bromopropane

1-bromopropane (PubChem CID 7840) has the molecular formula C3H7Br and a molecular weight of 122.99 g/mol. Its IUPAC name is 1-bromopropane.

Molecular Properties

Compound Name1-bromopropane
PubChem CID7840
Molecular FormulaC3H7Br
Molecular Weight122.99 g/mol
Exact Mass121.97
IUPAC Name1-bromopropane
SMILESCCCBr
InChIInChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
InChIKeyCYNYIHKIEHGYOZ-UHFFFAOYSA-N
XLogP1.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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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Related Compounds

Butyl bromide
CID 8002
1,2-Dibromopropane
CID 6553
Dibromopropane
CID 152925
1,2,2-Tribromopropane
CID 84466
1,1,2-Tribromopropane
CID 85756
1-Bromobutane-D9
CID 12236149
Propane, 1-bromo-2-fluoro-
CID 137242
Propyl bromide-3,3,3-d3
CID 12239982
1-Bromo(2,3-~13~C_2_)propane
CID 71309426
Bromofluoropropane
CID 5463732
Butyl Bromide-d3
CID 12236151
1-Bromo(1,1,2,3,3,3-~2~H_6_)propane
CID 23264209

Frequently Asked Questions

What is the IUPAC name of 1-bromopropane?
The IUPAC name of 1-bromopropane (CID 7840) is 1-bromopropane.
What is the SMILES notation for 1-bromopropane?
The canonical SMILES for 1-bromopropane is CCCBr.
What is the InChIKey of 1-bromopropane?
The InChIKey is CYNYIHKIEHGYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3.
What are the key properties of 1-bromopropane?
1-bromopropane has a molecular weight of 122.99 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopropane is sourced from PubChem (CID 7840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).