1-bromo-1-fluoropropane

C3H6BrF — CID 5463732

IUPAC1-bromo-1-fluoropropane
SMILESCCC(F)Br
InChIInChI=1S/C3H6BrF/c1-2-3(4)5/h3H,2H2,1H3
InChIKeyZAONJNQXCRQBQZ-UHFFFAOYSA-N
MW140.98 g/mol
LogP2.09
Rot. Bonds1

About 1-bromo-1-fluoropropane

1-bromo-1-fluoropropane (PubChem CID 5463732) has the molecular formula C3H6BrF and a molecular weight of 140.98 g/mol. Its IUPAC name is 1-bromo-1-fluoropropane.

Molecular Properties

Compound Name1-bromo-1-fluoropropane
PubChem CID5463732
Molecular FormulaC3H6BrF
Molecular Weight140.98 g/mol
Exact Mass139.96
IUPAC Name1-bromo-1-fluoropropane
SMILESCCC(F)Br
InChIInChI=1S/C3H6BrF/c1-2-3(4)5/h3H,2H2,1H3
InChIKeyZAONJNQXCRQBQZ-UHFFFAOYSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.98
LogP ≤ 52.09
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 1-bromo-1-fluoropropane?
The IUPAC name of 1-bromo-1-fluoropropane (CID 5463732) is 1-bromo-1-fluoropropane.
What is the SMILES notation for 1-bromo-1-fluoropropane?
The canonical SMILES for 1-bromo-1-fluoropropane is CCC(F)Br.
What is the InChIKey of 1-bromo-1-fluoropropane?
The InChIKey is ZAONJNQXCRQBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BrF/c1-2-3(4)5/h3H,2H2,1H3.
What are the key properties of 1-bromo-1-fluoropropane?
1-bromo-1-fluoropropane has a molecular weight of 140.98 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-fluoropropane is sourced from PubChem (CID 5463732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).