3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene

C10H10BrF — CID 167144100

IUPAC3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene
SMILESC=Cc1c(CC)ccc(F)c1Br
InChIInChI=1S/C10H10BrF/c1-3-7-5-6-9(12)10(11)8(7)4-2/h4-6H,2-3H2,1H3
InChIKeyPDYFSTBPIJKLOW-UHFFFAOYSA-N
MW229.09 g/mol
LogP3.79
Rot. Bonds2

About 3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene

3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene (PubChem CID 167144100) has the molecular formula C10H10BrF and a molecular weight of 229.09 g/mol. Its IUPAC name is 3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene.

Molecular Properties

Compound Name3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene
PubChem CID167144100
Molecular FormulaC10H10BrF
Molecular Weight229.09 g/mol
Exact Mass227.99
IUPAC Name3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene
SMILESC=Cc1c(CC)ccc(F)c1Br
InChIInChI=1S/C10H10BrF/c1-3-7-5-6-9(12)10(11)8(7)4-2/h4-6H,2-3H2,1H3
InChIKeyPDYFSTBPIJKLOW-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.09
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene?
The IUPAC name of 3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene (CID 167144100) is 3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene.
What is the SMILES notation for 3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene?
The canonical SMILES for 3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene is C=Cc1c(CC)ccc(F)c1Br.
What is the InChIKey of 3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene?
The InChIKey is PDYFSTBPIJKLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF/c1-3-7-5-6-9(12)10(11)8(7)4-2/h4-6H,2-3H2,1H3.
What are the key properties of 3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene?
3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene has a molecular weight of 229.09 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene is sourced from PubChem (CID 167144100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).