1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene

C8H3Cl2F3 — CID 123526048

IUPAC1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene
SMILESFc1cc(F)c(C(Cl)=CCl)cc1F
InChIInChI=1S/C8H3Cl2F3/c9-3-5(10)4-1-7(12)8(13)2-6(4)11/h1-3H
InChIKeyBGOXRNOXHMFIKG-UHFFFAOYSA-N
MW227.01 g/mol
LogP3.88
Rot. Bonds1

About 1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene

1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene (PubChem CID 123526048) has the molecular formula C8H3Cl2F3 and a molecular weight of 227.01 g/mol. Its IUPAC name is 1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene.

Molecular Properties

Compound Name1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene
PubChem CID123526048
Molecular FormulaC8H3Cl2F3
Molecular Weight227.01 g/mol
Exact Mass225.96
IUPAC Name1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene
SMILESFc1cc(F)c(C(Cl)=CCl)cc1F
InChIInChI=1S/C8H3Cl2F3/c9-3-5(10)4-1-7(12)8(13)2-6(4)11/h1-3H
InChIKeyBGOXRNOXHMFIKG-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.01
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene?
The IUPAC name of 1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene (CID 123526048) is 1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene.
What is the SMILES notation for 1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene?
The canonical SMILES for 1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene is Fc1cc(F)c(C(Cl)=CCl)cc1F.
What is the InChIKey of 1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene?
The InChIKey is BGOXRNOXHMFIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F3/c9-3-5(10)4-1-7(12)8(13)2-6(4)11/h1-3H.
What are the key properties of 1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene?
1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene has a molecular weight of 227.01 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dichloroethenyl)-2,4,5-trifluorobenzene is sourced from PubChem (CID 123526048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).