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

C8H5Cl2F — CID 19956461

IUPAC2,3-dichloro-1-ethenyl-4-fluorobenzene
SMILESC=Cc1ccc(F)c(Cl)c1Cl
InChIInChI=1S/C8H5Cl2F/c1-2-5-3-4-6(11)8(10)7(5)9/h2-4H,1H2
InChIKeyCLNVEGSGVOEDLC-UHFFFAOYSA-N
MW191.03 g/mol
LogP3.78
Rot. Bonds1

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

2,3-dichloro-1-ethenyl-4-fluorobenzene (PubChem CID 19956461) has the molecular formula C8H5Cl2F and a molecular weight of 191.03 g/mol. Its IUPAC name is 2,3-dichloro-1-ethenyl-4-fluorobenzene.

Molecular Properties

Compound Name2,3-dichloro-1-ethenyl-4-fluorobenzene
PubChem CID19956461
Molecular FormulaC8H5Cl2F
Molecular Weight191.03 g/mol
Exact Mass189.98
IUPAC Name2,3-dichloro-1-ethenyl-4-fluorobenzene
SMILESC=Cc1ccc(F)c(Cl)c1Cl
InChIInChI=1S/C8H5Cl2F/c1-2-5-3-4-6(11)8(10)7(5)9/h2-4H,1H2
InChIKeyCLNVEGSGVOEDLC-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 2,3-dichloro-1-ethenyl-4-fluorobenzene?
The IUPAC name of 2,3-dichloro-1-ethenyl-4-fluorobenzene (CID 19956461) is 2,3-dichloro-1-ethenyl-4-fluorobenzene.
What is the SMILES notation for 2,3-dichloro-1-ethenyl-4-fluorobenzene?
The canonical SMILES for 2,3-dichloro-1-ethenyl-4-fluorobenzene is C=Cc1ccc(F)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-1-ethenyl-4-fluorobenzene?
The InChIKey is CLNVEGSGVOEDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F/c1-2-5-3-4-6(11)8(10)7(5)9/h2-4H,1H2.
What are the key properties of 2,3-dichloro-1-ethenyl-4-fluorobenzene?
2,3-dichloro-1-ethenyl-4-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 2,3-dichloro-1-ethenyl-4-fluorobenzene is sourced from PubChem (CID 19956461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).