1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole

C18H6F8N4 — CID 2178095

IUPAC1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole
SMILESFc1c(F)c(-n2cccn2)c(F)c(F)c1-c1c(F)c(F)c(-n2cccn2)c(F)c1F
InChIInChI=1S/C18H6F8N4/c19-9-7(10(20)14(24)17(13(9)23)29-5-1-3-27-29)8-11(21)15(25)18(16(26)12(8)22)30-6-2-4-28-30/h1-6H
InChIKeyLHHQPPSBWUYRQF-UHFFFAOYSA-N
MW430.26 g/mol
LogP4.84
Rot. Bonds3

About 1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole

1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole (PubChem CID 2178095) has the molecular formula C18H6F8N4 and a molecular weight of 430.26 g/mol. Its IUPAC name is 1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole
PubChem CID2178095
Molecular FormulaC18H6F8N4
Molecular Weight430.26 g/mol
Exact Mass430.05
IUPAC Name1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole
SMILESFc1c(F)c(-n2cccn2)c(F)c(F)c1-c1c(F)c(F)c(-n2cccn2)c(F)c1F
InChIInChI=1S/C18H6F8N4/c19-9-7(10(20)14(24)17(13(9)23)29-5-1-3-27-29)8-11(21)15(25)18(16(26)12(8)22)30-6-2-4-28-30/h1-6H
InChIKeyLHHQPPSBWUYRQF-UHFFFAOYSA-N
XLogP4.84
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.26
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole?
The IUPAC name of 1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole (CID 2178095) is 1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole.
What is the SMILES notation for 1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole?
The canonical SMILES for 1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole is Fc1c(F)c(-n2cccn2)c(F)c(F)c1-c1c(F)c(F)c(-n2cccn2)c(F)c1F.
What is the InChIKey of 1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole?
The InChIKey is LHHQPPSBWUYRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6F8N4/c19-9-7(10(20)14(24)17(13(9)23)29-5-1-3-27-29)8-11(21)15(25)18(16(26)12(8)22)30-6-2-4-28-30/h1-6H.
What are the key properties of 1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole?
1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole has a molecular weight of 430.26 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyrazol-1-ylphenyl)phenyl]pyrazole is sourced from PubChem (CID 2178095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).