1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene

C22H12F10 — CID 170287303

About 1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene

1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene (PubChem CID 170287303) has the molecular formula C22H12F10 and a molecular weight of 466.32 g/mol. Its IUPAC name is 1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene.

Molecular Properties

• Compound Name: 1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene
• PubChem CID: 170287303
• Molecular Formula: C22H12F10
• Molecular Weight: 466.32 g/mol
• Exact Mass: 466.08
• IUPAC Name: 1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene
• SMILES: CCc1c(F)c(F)c(F)c(F)c1-c1c(F)cc(F)c(-c2c(F)c(C)c(C)c(F)c2F)c1F
• InChI: InChI=1S/C22H12F10/c1-4-8-11(19(29)22(32)21(31)17(8)27)12-9(23)5-10(24)13(18(12)28)14-15(25)6(2)7(3)16(26)20(14)30/h5H,4H2,1-3H3
• InChIKey: ZVVLFZSQRCDYRF-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.32
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene?

The IUPAC name of 1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene (CID 170287303) is 1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene.

What is the SMILES notation for 1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene?

The canonical SMILES for 1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene is CCc1c(F)c(F)c(F)c(F)c1-c1c(F)cc(F)c(-c2c(F)c(C)c(C)c(F)c2F)c1F.

What is the InChIKey of 1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene?

The InChIKey is ZVVLFZSQRCDYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F10/c1-4-8-11(19(29)22(32)21(31)17(8)27)12-9(23)5-10(24)13(18(12)28)14-15(25)6(2)7(3)16(26)20(14)30/h5H,4H2,1-3H3.

What are the key properties of 1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene?

1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene has a molecular weight of 466.32 g/mol, XLogP of 7.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2,3,4,5-tetrafluoro-6-[2,4,6-trifluoro-3-(2,3,6-trifluoro-4,5-dimethylphenyl)phenyl]benzene is sourced from PubChem (CID 170287303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).