3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene

C12H4Cl2F4 — CID 118803913

IUPAC3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
SMILESFc1cc(F)c(F)c(-c2cccc(Cl)c2Cl)c1F
InChIInChI=1S/C12H4Cl2F4/c13-6-3-1-2-5(10(6)14)9-11(17)7(15)4-8(16)12(9)18/h1-4H
InChIKeyJKNOFSWQQYEBMY-UHFFFAOYSA-N
MW295.06 g/mol
LogP5.22
Rot. Bonds1

About 3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene

3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene (PubChem CID 118803913) has the molecular formula C12H4Cl2F4 and a molecular weight of 295.06 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
PubChem CID118803913
Molecular FormulaC12H4Cl2F4
Molecular Weight295.06 g/mol
Exact Mass293.96
IUPAC Name3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
SMILESFc1cc(F)c(F)c(-c2cccc(Cl)c2Cl)c1F
InChIInChI=1S/C12H4Cl2F4/c13-6-3-1-2-5(10(6)14)9-11(17)7(15)4-8(16)12(9)18/h1-4H
InChIKeyJKNOFSWQQYEBMY-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.06
LogP ≤ 55.22
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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Related Compounds

1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene
CID 141040222
3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
CID 133090739
1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene
CID 119023512
1-chloro-2,3-difluorobenzene
CID 157449386
2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate
CID 138395099
1,2-dichloro-3-(4-fluorophenyl)benzene
CID 57058690
1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene
CID 66251613
1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 118837736
[3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine
CID 54912158
1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene
CID 134629417
2-(2,3-dichlorophenyl)-3-fluoropyridine
CID 118819260
4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine
CID 133091201

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene?
The IUPAC name of 3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene (CID 118803913) is 3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene is Fc1cc(F)c(F)c(-c2cccc(Cl)c2Cl)c1F.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene?
The InChIKey is JKNOFSWQQYEBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl2F4/c13-6-3-1-2-5(10(6)14)9-11(17)7(15)4-8(16)12(9)18/h1-4H.
What are the key properties of 3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene?
3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene has a molecular weight of 295.06 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene is sourced from PubChem (CID 118803913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).