1-(3-chlorophenyl)-2,3,4,5,6-pentafluorobenzene

C12H4ClF5 — CID 11572688

IUPAC1-(3-chlorophenyl)-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(-c2cccc(Cl)c2)c(F)c1F
InChIInChI=1S/C12H4ClF5/c13-6-3-1-2-5(4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H
InChIKeyFZDUKEDUVFIMBV-UHFFFAOYSA-N
MW278.61 g/mol
LogP4.70
Rot. Bonds1

About 1-(3-chlorophenyl)-2,3,4,5,6-pentafluorobenzene

1-(3-chlorophenyl)-2,3,4,5,6-pentafluorobenzene (PubChem CID 11572688) has the molecular formula C12H4ClF5 and a molecular weight of 278.61 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2,3,4,5,6-pentafluorobenzene
PubChem CID11572688
Molecular FormulaC12H4ClF5
Molecular Weight278.61 g/mol
Exact Mass277.99
IUPAC Name1-(3-chlorophenyl)-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(-c2cccc(Cl)c2)c(F)c1F
InChIInChI=1S/C12H4ClF5/c13-6-3-1-2-5(4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H
InChIKeyFZDUKEDUVFIMBV-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.61
LogP ≤ 54.70
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-chlorophenyl)-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(3-chlorophenyl)-2,3,4,5,6-pentafluorobenzene (CID 11572688) is 1-(3-chlorophenyl)-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(3-chlorophenyl)-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(3-chlorophenyl)-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(-c2cccc(Cl)c2)c(F)c1F.
What is the InChIKey of 1-(3-chlorophenyl)-2,3,4,5,6-pentafluorobenzene?
The InChIKey is FZDUKEDUVFIMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4ClF5/c13-6-3-1-2-5(4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H.
What are the key properties of 1-(3-chlorophenyl)-2,3,4,5,6-pentafluorobenzene?
1-(3-chlorophenyl)-2,3,4,5,6-pentafluorobenzene has a molecular weight of 278.61 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 11572688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).