ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene

C14H7F10NS2 — CID 144769240

About ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene

ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene (PubChem CID 144769240) has the molecular formula C14H7F10NS2 and a molecular weight of 443.33 g/mol. Its IUPAC name is ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene.

Molecular Properties

• Compound Name: ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene
• PubChem CID: 144769240
• Molecular Formula: C14H7F10NS2
• Molecular Weight: 443.33 g/mol
• Exact Mass: 442.99
• IUPAC Name: ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene
• SMILES: CC.Fc1c(F)c(F)c(SNSc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
• InChI: InChI=1S/C12HF10NS2.C2H6/c13-1-3(15)7(19)11(8(20)4(1)16)24-23-25-12-9(21)5(17)2(14)6(18)10(12)22;1-2/h23H;1-2H3
• InChIKey: IHXSTPRVGMGGCR-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.33
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene?

The IUPAC name of ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene (CID 144769240) is ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene.

What is the SMILES notation for ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene?

The canonical SMILES for ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene is CC.Fc1c(F)c(F)c(SNSc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.

What is the InChIKey of ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene?

The InChIKey is IHXSTPRVGMGGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12HF10NS2.C2H6/c13-1-3(15)7(19)11(8(20)4(1)16)24-23-25-12-9(21)5(17)2(14)6(18)10(12)22;1-2/h23H;1-2H3.

What are the key properties of ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene?

ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene has a molecular weight of 443.33 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene is sourced from PubChem (CID 144769240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).