1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene

C14H9BrClF — CID 139493948

IUPAC1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene
SMILESC=C(c1ccc(Cl)cc1)c1cc(F)ccc1Br
InChIInChI=1S/C14H9BrClF/c1-9(10-2-4-11(16)5-3-10)13-8-12(17)6-7-14(13)15/h2-8H,1H2
InChIKeyGXDFFJZPFCLICZ-UHFFFAOYSA-N
MW311.58 g/mol
LogP5.30
Rot. Bonds2

About 1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene

1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene (PubChem CID 139493948) has the molecular formula C14H9BrClF and a molecular weight of 311.58 g/mol. Its IUPAC name is 1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene
PubChem CID139493948
Molecular FormulaC14H9BrClF
Molecular Weight311.58 g/mol
Exact Mass309.96
IUPAC Name1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene
SMILESC=C(c1ccc(Cl)cc1)c1cc(F)ccc1Br
InChIInChI=1S/C14H9BrClF/c1-9(10-2-4-11(16)5-3-10)13-8-12(17)6-7-14(13)15/h2-8H,1H2
InChIKeyGXDFFJZPFCLICZ-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.58
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene?
The IUPAC name of 1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene (CID 139493948) is 1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene is C=C(c1ccc(Cl)cc1)c1cc(F)ccc1Br.
What is the InChIKey of 1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene?
The InChIKey is GXDFFJZPFCLICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF/c1-9(10-2-4-11(16)5-3-10)13-8-12(17)6-7-14(13)15/h2-8H,1H2.
What are the key properties of 1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene?
1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene has a molecular weight of 311.58 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[1-(4-chlorophenyl)ethenyl]-4-fluorobenzene is sourced from PubChem (CID 139493948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).