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

C13H3F9 — CID 12571903

IUPAC1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluoro-6-methylphenyl)benzene
SMILESCc1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H3F9/c1-2-3(6(15)10(19)9(18)5(2)14)4-7(16)11(20)13(22)12(21)8(4)17/h1H3
InChIKeyLMOJWGGFGNBFSA-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.91
Rot. Bonds1

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

1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluoro-6-methylphenyl)benzene (PubChem CID 12571903) has the molecular formula C13H3F9 and a molecular weight of 330.15 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluoro-6-methylphenyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluoro-6-methylphenyl)benzene
PubChem CID12571903
Molecular FormulaC13H3F9
Molecular Weight330.15 g/mol
Exact Mass330.01
IUPAC Name1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluoro-6-methylphenyl)benzene
SMILESCc1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H3F9/c1-2-3(6(15)10(19)9(18)5(2)14)4-7(16)11(20)13(22)12(21)8(4)17/h1H3
InChIKeyLMOJWGGFGNBFSA-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.91
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-(2,3,4,5-tetrafluoro-6-methylphenyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluoro-6-methylphenyl)benzene (CID 12571903) is 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluoro-6-methylphenyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluoro-6-methylphenyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluoro-6-methylphenyl)benzene is Cc1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluoro-6-methylphenyl)benzene?
The InChIKey is LMOJWGGFGNBFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H3F9/c1-2-3(6(15)10(19)9(18)5(2)14)4-7(16)11(20)13(22)12(21)8(4)17/h1H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluoro-6-methylphenyl)benzene?
1,2,3,4,5-pentafluoro-6-(2,3,4,5-tetrafluoro-6-methylphenyl)benzene has a molecular weight of 330.15 g/mol, XLogP of 4.91, 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-(2,3,4,5-tetrafluoro-6-methylphenyl)benzene is sourced from PubChem (CID 12571903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).