1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene

C12Cl2F8 — CID 71363843

IUPAC1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene
SMILESFc1c(F)c(F)c(-c2c(F)c(Cl)c(F)c(Cl)c2F)c(F)c1F
InChIInChI=1S/C12Cl2F8/c13-3-5(15)1(6(16)4(14)9(3)19)2-7(17)10(20)12(22)11(21)8(2)18
InChIKeyPXCNPOHJIJQPHT-UHFFFAOYSA-N
MW367.02 g/mol
LogP5.77
Rot. Bonds1

About 1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene

1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene (PubChem CID 71363843) has the molecular formula C12Cl2F8 and a molecular weight of 367.02 g/mol. Its IUPAC name is 1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene
PubChem CID71363843
Molecular FormulaC12Cl2F8
Molecular Weight367.02 g/mol
Exact Mass365.92
IUPAC Name1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene
SMILESFc1c(F)c(F)c(-c2c(F)c(Cl)c(F)c(Cl)c2F)c(F)c1F
InChIInChI=1S/C12Cl2F8/c13-3-5(15)1(6(16)4(14)9(3)19)2-7(17)10(20)12(22)11(21)8(2)18
InChIKeyPXCNPOHJIJQPHT-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.02
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene?
The IUPAC name of 1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene (CID 71363843) is 1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene.
What is the SMILES notation for 1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene?
The canonical SMILES for 1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene is Fc1c(F)c(F)c(-c2c(F)c(Cl)c(F)c(Cl)c2F)c(F)c1F.
What is the InChIKey of 1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene?
The InChIKey is PXCNPOHJIJQPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12Cl2F8/c13-3-5(15)1(6(16)4(14)9(3)19)2-7(17)10(20)12(22)11(21)8(2)18.
What are the key properties of 1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene?
1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene has a molecular weight of 367.02 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2,4,6-trifluoro-5-(2,3,4,5,6-pentafluorophenyl)benzene is sourced from PubChem (CID 71363843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).