(1-bromo-2-fluoroethyl)benzene

C8H8BrF — CID 13442929

IUPAC(1-bromo-2-fluoroethyl)benzene
SMILESFCC(Br)c1ccccc1
InChIInChI=1S/C8H8BrF/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyAZWJTBRXGIPLHX-UHFFFAOYSA-N
MW203.05 g/mol
LogP3.09
Rot. Bonds2

About (1-bromo-2-fluoroethyl)benzene

(1-bromo-2-fluoroethyl)benzene (PubChem CID 13442929) has the molecular formula C8H8BrF and a molecular weight of 203.05 g/mol. Its IUPAC name is (1-bromo-2-fluoroethyl)benzene.

Molecular Properties

Compound Name(1-bromo-2-fluoroethyl)benzene
PubChem CID13442929
Molecular FormulaC8H8BrF
Molecular Weight203.05 g/mol
Exact Mass201.98
IUPAC Name(1-bromo-2-fluoroethyl)benzene
SMILESFCC(Br)c1ccccc1
InChIInChI=1S/C8H8BrF/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyAZWJTBRXGIPLHX-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.05
LogP ≤ 53.09
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-2-fluoroethyl)benzene?
The IUPAC name of (1-bromo-2-fluoroethyl)benzene (CID 13442929) is (1-bromo-2-fluoroethyl)benzene.
What is the SMILES notation for (1-bromo-2-fluoroethyl)benzene?
The canonical SMILES for (1-bromo-2-fluoroethyl)benzene is FCC(Br)c1ccccc1.
What is the InChIKey of (1-bromo-2-fluoroethyl)benzene?
The InChIKey is AZWJTBRXGIPLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of (1-bromo-2-fluoroethyl)benzene?
(1-bromo-2-fluoroethyl)benzene has a molecular weight of 203.05 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2-fluoroethyl)benzene is sourced from PubChem (CID 13442929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).