1-bromo-3-chloro-2-fluoropropane

C3H5BrClF — CID 12759422

IUPAC1-bromo-3-chloro-2-fluoropropane
SMILESFC(CCl)CBr
InChIInChI=1S/C3H5BrClF/c4-1-3(6)2-5/h3H,1-2H2
InChIKeyFUJNUMBHVIGAIS-UHFFFAOYSA-N
MW175.43 g/mol
LogP1.96
Rot. Bonds2

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

1-bromo-3-chloro-2-fluoropropane (PubChem CID 12759422) has the molecular formula C3H5BrClF and a molecular weight of 175.43 g/mol. Its IUPAC name is 1-bromo-3-chloro-2-fluoropropane.

Molecular Properties

Compound Name1-bromo-3-chloro-2-fluoropropane
PubChem CID12759422
Molecular FormulaC3H5BrClF
Molecular Weight175.43 g/mol
Exact Mass173.92
IUPAC Name1-bromo-3-chloro-2-fluoropropane
SMILESFC(CCl)CBr
InChIInChI=1S/C3H5BrClF/c4-1-3(6)2-5/h3H,1-2H2
InChIKeyFUJNUMBHVIGAIS-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 1-bromo-3-chloro-2-fluoropropane?
The IUPAC name of 1-bromo-3-chloro-2-fluoropropane (CID 12759422) is 1-bromo-3-chloro-2-fluoropropane.
What is the SMILES notation for 1-bromo-3-chloro-2-fluoropropane?
The canonical SMILES for 1-bromo-3-chloro-2-fluoropropane is FC(CCl)CBr.
What is the InChIKey of 1-bromo-3-chloro-2-fluoropropane?
The InChIKey is FUJNUMBHVIGAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrClF/c4-1-3(6)2-5/h3H,1-2H2.
What are the key properties of 1-bromo-3-chloro-2-fluoropropane?
1-bromo-3-chloro-2-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 1-bromo-3-chloro-2-fluoropropane is sourced from PubChem (CID 12759422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).