1,2-dichloro-4-ethenyl-3-fluorobenzene

C8H5Cl2F — CID 126581088

IUPAC1,2-dichloro-4-ethenyl-3-fluorobenzene
SMILESC=Cc1ccc(Cl)c(Cl)c1F
InChIInChI=1S/C8H5Cl2F/c1-2-5-3-4-6(9)7(10)8(5)11/h2-4H,1H2
InChIKeyJBPPMSXSYUFFID-UHFFFAOYSA-N
MW191.03 g/mol
LogP3.78
Rot. Bonds1

About 1,2-dichloro-4-ethenyl-3-fluorobenzene

1,2-dichloro-4-ethenyl-3-fluorobenzene (PubChem CID 126581088) has the molecular formula C8H5Cl2F and a molecular weight of 191.03 g/mol. Its IUPAC name is 1,2-dichloro-4-ethenyl-3-fluorobenzene.

Molecular Properties

Compound Name1,2-dichloro-4-ethenyl-3-fluorobenzene
PubChem CID126581088
Molecular FormulaC8H5Cl2F
Molecular Weight191.03 g/mol
Exact Mass189.98
IUPAC Name1,2-dichloro-4-ethenyl-3-fluorobenzene
SMILESC=Cc1ccc(Cl)c(Cl)c1F
InChIInChI=1S/C8H5Cl2F/c1-2-5-3-4-6(9)7(10)8(5)11/h2-4H,1H2
InChIKeyJBPPMSXSYUFFID-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-ethenyl-3-fluorobenzene?
The IUPAC name of 1,2-dichloro-4-ethenyl-3-fluorobenzene (CID 126581088) is 1,2-dichloro-4-ethenyl-3-fluorobenzene.
What is the SMILES notation for 1,2-dichloro-4-ethenyl-3-fluorobenzene?
The canonical SMILES for 1,2-dichloro-4-ethenyl-3-fluorobenzene is C=Cc1ccc(Cl)c(Cl)c1F.
What is the InChIKey of 1,2-dichloro-4-ethenyl-3-fluorobenzene?
The InChIKey is JBPPMSXSYUFFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F/c1-2-5-3-4-6(9)7(10)8(5)11/h2-4H,1H2.
What are the key properties of 1,2-dichloro-4-ethenyl-3-fluorobenzene?
1,2-dichloro-4-ethenyl-3-fluorobenzene has a molecular weight of 191.03 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-ethenyl-3-fluorobenzene is sourced from PubChem (CID 126581088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).