(3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane

C25H8BF11O2 — CID 141052337

About (3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane

(3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane (PubChem CID 141052337) has the molecular formula C25H8BF11O2 and a molecular weight of 560.13 g/mol. Its IUPAC name is (3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane.

Molecular Properties

• Compound Name: (3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane
• PubChem CID: 141052337
• Molecular Formula: C25H8BF11O2
• Molecular Weight: 560.13 g/mol
• Exact Mass: 560.04
• IUPAC Name: (3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane
• SMILES: FC1=C(F)C(B(Oc2ccc(F)c(F)c2)Oc2c(F)c(F)c(F)c3c(F)c(F)ccc23)c2ccc(F)c(F)c21
• InChI: InChI=1S/C25H8BF11O2/c27-11-4-1-8(7-14(11)30)38-26(17-9-2-5-12(28)18(31)15(9)20(33)22(17)35)39-25-10-3-6-13(29)19(32)16(10)21(34)23(36)24(25)37/h1-7,17H
• InChIKey: DHGOHYIPNAFZKH-UHFFFAOYSA-N
• XLogP: 7.98
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.13
LogP ≤ 5	7.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane?

The IUPAC name of (3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane (CID 141052337) is (3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane.

What is the SMILES notation for (3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane?

The canonical SMILES for (3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane is FC1=C(F)C(B(Oc2ccc(F)c(F)c2)Oc2c(F)c(F)c(F)c3c(F)c(F)ccc23)c2ccc(F)c(F)c21.

What is the InChIKey of (3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane?

The InChIKey is DHGOHYIPNAFZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H8BF11O2/c27-11-4-1-8(7-14(11)30)38-26(17-9-2-5-12(28)18(31)15(9)20(33)22(17)35)39-25-10-3-6-13(29)19(32)16(10)21(34)23(36)24(25)37/h1-7,17H.

What are the key properties of (3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane?

(3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane has a molecular weight of 560.13 g/mol, XLogP of 7.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3,4-difluorophenoxy)-(2,3,4,5,6-pentafluoronaphthalen-1-yl)oxy-(2,3,4,5-tetrafluoro-1H-inden-1-yl)borane is sourced from PubChem (CID 141052337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).