1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene

C12H2F8 — CID 118826499

IUPAC1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene
SMILESFc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(F)c1F
InChIInChI=1S/C12H2F8/c13-4-1-3(2-5(14)7(4)15)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H
InChIKeyQMXFQQSAQZHRPX-UHFFFAOYSA-N
MW298.13 g/mol
LogP4.47
Rot. Bonds1

About 1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene

1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene (PubChem CID 118826499) has the molecular formula C12H2F8 and a molecular weight of 298.13 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene
PubChem CID118826499
Molecular FormulaC12H2F8
Molecular Weight298.13 g/mol
Exact Mass298.00
IUPAC Name1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene
SMILESFc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(F)c1F
InChIInChI=1S/C12H2F8/c13-4-1-3(2-5(14)7(4)15)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H
InChIKeyQMXFQQSAQZHRPX-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 54.47
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 1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene (CID 118826499) is 1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene is Fc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene?
The InChIKey is QMXFQQSAQZHRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H2F8/c13-4-1-3(2-5(14)7(4)15)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene?
1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene has a molecular weight of 298.13 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(3,4,5-trifluorophenyl)benzene is sourced from PubChem (CID 118826499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).