(1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane

C2H2BrCl2F — CID 12714090

IUPAC(1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane
SMILESF[C@H](Cl)[C@H](Cl)Br
InChIInChI=1S/C2H2BrCl2F/c3-1(4)2(5)6/h1-2H/t1-,2-/m0/s1
InChIKeyXDDJVEKMKAKCQM-LWMBPPNESA-N
MW195.85 g/mol
LogP2.48
Rot. Bonds1

About (1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane

(1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane (PubChem CID 12714090) has the molecular formula C2H2BrCl2F and a molecular weight of 195.85 g/mol. Its IUPAC name is (1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane.

Molecular Properties

Compound Name(1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane
PubChem CID12714090
Molecular FormulaC2H2BrCl2F
Molecular Weight195.85 g/mol
Exact Mass193.87
IUPAC Name(1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane
SMILESF[C@H](Cl)[C@H](Cl)Br
InChIInChI=1S/C2H2BrCl2F/c3-1(4)2(5)6/h1-2H/t1-,2-/m0/s1
InChIKeyXDDJVEKMKAKCQM-LWMBPPNESA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.85
LogP ≤ 52.48
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 (1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane?
The IUPAC name of (1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane (CID 12714090) is (1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane.
What is the SMILES notation for (1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane?
The canonical SMILES for (1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane is F[C@H](Cl)[C@H](Cl)Br.
What is the InChIKey of (1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane?
The InChIKey is XDDJVEKMKAKCQM-LWMBPPNESA-N. The full InChI is InChI=1S/C2H2BrCl2F/c3-1(4)2(5)6/h1-2H/t1-,2-/m0/s1.
What are the key properties of (1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane?
(1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane has a molecular weight of 195.85 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-bromo-1,2-dichloro-2-fluoroethane is sourced from PubChem (CID 12714090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).