1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene

C12H2F10 — CID 129044818

About 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene

1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene (PubChem CID 129044818) has the molecular formula C12H2F10 and a molecular weight of 336.13 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene.

Molecular Properties

• Compound Name: 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene
• PubChem CID: 129044818
• Molecular Formula: C12H2F10
• Molecular Weight: 336.13 g/mol
• Exact Mass: 336.00
• IUPAC Name: 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene
• SMILES: FC1=C(F)C(F)C(c2c(F)c(F)c(F)c(F)c2F)C(F)=C1F
• InChI: InChI=1S/C12H2F10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h1,3H
• InChIKey: YDFUAJLGOOEDGJ-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	336.13
LogP ≤ 5	5.12
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 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene?

The IUPAC name of 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene (CID 129044818) is 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene.

What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene?

The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene is FC1=C(F)C(F)C(c2c(F)c(F)c(F)c(F)c2F)C(F)=C1F.

What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene?

The InChIKey is YDFUAJLGOOEDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H2F10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h1,3H.

What are the key properties of 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene?

1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene has a molecular weight of 336.13 g/mol, XLogP of 5.12, 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-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene is sourced from PubChem (CID 129044818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).