1-bromo-1-chloro-1-fluoroethane

C2H3BrClF — CID 57450899

IUPAC1-bromo-1-chloro-1-fluoroethane
SMILESCC(F)(Cl)Br
InChIInChI=1S/C2H3BrClF/c1-2(3,4)5/h1H3
InChIKeyIUEOVIJFFFDZTG-UHFFFAOYSA-N
MW161.40 g/mol
LogP2.26
Rot. Bonds

About 1-bromo-1-chloro-1-fluoroethane

1-bromo-1-chloro-1-fluoroethane (PubChem CID 57450899) has the molecular formula C2H3BrClF and a molecular weight of 161.40 g/mol. Its IUPAC name is 1-bromo-1-chloro-1-fluoroethane.

Molecular Properties

Compound Name1-bromo-1-chloro-1-fluoroethane
PubChem CID57450899
Molecular FormulaC2H3BrClF
Molecular Weight161.40 g/mol
Exact Mass159.91
IUPAC Name1-bromo-1-chloro-1-fluoroethane
SMILESCC(F)(Cl)Br
InChIInChI=1S/C2H3BrClF/c1-2(3,4)5/h1H3
InChIKeyIUEOVIJFFFDZTG-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.40
LogP ≤ 52.26
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-chloro-1-fluoroethane?
The IUPAC name of 1-bromo-1-chloro-1-fluoroethane (CID 57450899) is 1-bromo-1-chloro-1-fluoroethane.
What is the SMILES notation for 1-bromo-1-chloro-1-fluoroethane?
The canonical SMILES for 1-bromo-1-chloro-1-fluoroethane is CC(F)(Cl)Br.
What is the InChIKey of 1-bromo-1-chloro-1-fluoroethane?
The InChIKey is IUEOVIJFFFDZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BrClF/c1-2(3,4)5/h1H3.
What are the key properties of 1-bromo-1-chloro-1-fluoroethane?
1-bromo-1-chloro-1-fluoroethane has a molecular weight of 161.40 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-chloro-1-fluoroethane is sourced from PubChem (CID 57450899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).