2-bromo-1-chloro-3-fluoropropane

C3H5BrClF — CID 12759423

IUPAC2-bromo-1-chloro-3-fluoropropane
SMILESFCC(Br)CCl
InChIInChI=1S/C3H5BrClF/c4-3(1-5)2-6/h3H,1-2H2
InChIKeyZRNPUQICDNWDFJ-UHFFFAOYSA-N
MW175.43 g/mol
LogP1.96
Rot. Bonds2

About 2-bromo-1-chloro-3-fluoropropane

2-bromo-1-chloro-3-fluoropropane (PubChem CID 12759423) has the molecular formula C3H5BrClF and a molecular weight of 175.43 g/mol. Its IUPAC name is 2-bromo-1-chloro-3-fluoropropane.

Molecular Properties

Compound Name2-bromo-1-chloro-3-fluoropropane
PubChem CID12759423
Molecular FormulaC3H5BrClF
Molecular Weight175.43 g/mol
Exact Mass173.92
IUPAC Name2-bromo-1-chloro-3-fluoropropane
SMILESFCC(Br)CCl
InChIInChI=1S/C3H5BrClF/c4-3(1-5)2-6/h3H,1-2H2
InChIKeyZRNPUQICDNWDFJ-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.43
LogP ≤ 51.96
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-bromo-1-chloro-3-fluoropropane?
The IUPAC name of 2-bromo-1-chloro-3-fluoropropane (CID 12759423) is 2-bromo-1-chloro-3-fluoropropane.
What is the SMILES notation for 2-bromo-1-chloro-3-fluoropropane?
The canonical SMILES for 2-bromo-1-chloro-3-fluoropropane is FCC(Br)CCl.
What is the InChIKey of 2-bromo-1-chloro-3-fluoropropane?
The InChIKey is ZRNPUQICDNWDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrClF/c4-3(1-5)2-6/h3H,1-2H2.
What are the key properties of 2-bromo-1-chloro-3-fluoropropane?
2-bromo-1-chloro-3-fluoropropane has a molecular weight of 175.43 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-chloro-3-fluoropropane is sourced from PubChem (CID 12759423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).