4-bromo-2-ethyl-1-fluorobenzene

C8H8BrF — CID 22641025

IUPAC4-bromo-2-ethyl-1-fluorobenzene
SMILESCCc1cc(Br)ccc1F
InChIInChI=1S/C8H8BrF/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2H2,1H3
InChIKeyAFMZYBYSTYYOFO-UHFFFAOYSA-N
MW203.05 g/mol
LogP3.15
Rot. Bonds1

About 4-bromo-2-ethyl-1-fluorobenzene

4-bromo-2-ethyl-1-fluorobenzene (PubChem CID 22641025) has the molecular formula C8H8BrF and a molecular weight of 203.05 g/mol. Its IUPAC name is 4-bromo-2-ethyl-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-ethyl-1-fluorobenzene
PubChem CID22641025
Molecular FormulaC8H8BrF
Molecular Weight203.05 g/mol
Exact Mass201.98
IUPAC Name4-bromo-2-ethyl-1-fluorobenzene
SMILESCCc1cc(Br)ccc1F
InChIInChI=1S/C8H8BrF/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2H2,1H3
InChIKeyAFMZYBYSTYYOFO-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.05
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(5-bromo-2-fluorophenyl)methanesulfonamide
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2-(5-bromo-2-fluorophenyl)-N-ethyl-N-methylethanamine
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4-bromo-2-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-fluorobenzene
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ethyl 2-bromo-3-(5-bromo-2-fluorophenyl)propanoate
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CID 60996788
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CID 143588111
3-ethyl-4-fluorobenzenethiol
CID 91874078
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
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CID 62621749

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-1-fluorobenzene?
The IUPAC name of 4-bromo-2-ethyl-1-fluorobenzene (CID 22641025) is 4-bromo-2-ethyl-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-ethyl-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-ethyl-1-fluorobenzene is CCc1cc(Br)ccc1F.
What is the InChIKey of 4-bromo-2-ethyl-1-fluorobenzene?
The InChIKey is AFMZYBYSTYYOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2H2,1H3.
What are the key properties of 4-bromo-2-ethyl-1-fluorobenzene?
4-bromo-2-ethyl-1-fluorobenzene has a molecular weight of 203.05 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-1-fluorobenzene is sourced from PubChem (CID 22641025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).