2-bromo-1-chloro-1-fluoroethane

C2H3BrClF — CID 13299939

IUPAC2-bromo-1-chloro-1-fluoroethane
SMILESFC(Cl)CBr
InChIInChI=1S/C2H3BrClF/c3-1-2(4)5/h2H,1H2
InChIKeyADGYLICVEHSKBQ-UHFFFAOYSA-N
MW161.40 g/mol
LogP1.92
Rot. Bonds1

About 2-bromo-1-chloro-1-fluoroethane

2-bromo-1-chloro-1-fluoroethane (PubChem CID 13299939) has the molecular formula C2H3BrClF and a molecular weight of 161.40 g/mol. Its IUPAC name is 2-bromo-1-chloro-1-fluoroethane.

Molecular Properties

Compound Name2-bromo-1-chloro-1-fluoroethane
PubChem CID13299939
Molecular FormulaC2H3BrClF
Molecular Weight161.40 g/mol
Exact Mass159.91
IUPAC Name2-bromo-1-chloro-1-fluoroethane
SMILESFC(Cl)CBr
InChIInChI=1S/C2H3BrClF/c3-1-2(4)5/h2H,1H2
InChIKeyADGYLICVEHSKBQ-UHFFFAOYSA-N
XLogP1.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.40
LogP ≤ 51.92
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

1-bromo-2-chloropropane;2-chloropropane
CID 174371360
azane;2-bromo-1,1-dichloroethane
CID 174995593
1-chloro-1-fluoro-2-iodoethane
CID 23262231
chloro(difluoro)methane
CID 102425690
1-chloro-1-fluoropropane;hydrofluoride
CID 174905950
(1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane
CID 12714090
(2R)-1-bromo-2-chlorobutane
CID 57480694
1,3-dibromo-2,4-difluorobutane
CID 23263192
1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane
CID 57314653
1-bromo-2,4-difluorobutane
CID 84654528
2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane
CID 157357085
1,1,3-trichloro-1,3-difluoropropane
CID 23295392

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-chloro-1-fluoroethane?
The IUPAC name of 2-bromo-1-chloro-1-fluoroethane (CID 13299939) is 2-bromo-1-chloro-1-fluoroethane.
What is the SMILES notation for 2-bromo-1-chloro-1-fluoroethane?
The canonical SMILES for 2-bromo-1-chloro-1-fluoroethane is FC(Cl)CBr.
What is the InChIKey of 2-bromo-1-chloro-1-fluoroethane?
The InChIKey is ADGYLICVEHSKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BrClF/c3-1-2(4)5/h2H,1H2.
What are the key properties of 2-bromo-1-chloro-1-fluoroethane?
2-bromo-1-chloro-1-fluoroethane has a molecular weight of 161.40 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-chloro-1-fluoroethane is sourced from PubChem (CID 13299939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).