[4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide

C30H15BF19O2Si- — CID 22239752

IUPAC[4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESCCO[Si](CC)(OCC)c1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C30H15BF19O2Si/c1-4-51-53(6-3,52-5-2)30-28(49)17(38)10(18(39)29(30)50)31(7-11(32)19(40)25(46)20(41)12(7)33,8-13(34)21(42)26(47)22(43)14(8)35)9-15(36)23(44)27(48)24(45)16(9)37/h4-6H2,1-3H3/q-1
InChIKeyGAVKQIIULXTZKZ-UHFFFAOYSA-N
MW807.31 g/mol
LogP6.45
Rot. Bonds10

About [4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide

[4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 22239752) has the molecular formula C30H15BF19O2Si- and a molecular weight of 807.31 g/mol. Its IUPAC name is [4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Name[4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID22239752
Molecular FormulaC30H15BF19O2Si-
Molecular Weight807.31 g/mol
Exact Mass807.06
IUPAC Name[4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESCCO[Si](CC)(OCC)c1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C30H15BF19O2Si/c1-4-51-53(6-3,52-5-2)30-28(49)17(38)10(18(39)29(30)50)31(7-11(32)19(40)25(46)20(41)12(7)33,8-13(34)21(42)26(47)22(43)14(8)35)9-15(36)23(44)27(48)24(45)16(9)37/h4-6H2,1-3H3/q-1
InChIKeyGAVKQIIULXTZKZ-UHFFFAOYSA-N
XLogP6.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.31
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of [4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide (CID 22239752) is [4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for [4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for [4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide is CCO[Si](CC)(OCC)c1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of [4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is GAVKQIIULXTZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H15BF19O2Si/c1-4-51-53(6-3,52-5-2)30-28(49)17(38)10(18(39)29(30)50)31(7-11(32)19(40)25(46)20(41)12(7)33,8-13(34)21(42)26(47)22(43)14(8)35)9-15(36)23(44)27(48)24(45)16(9)37/h4-6H2,1-3H3/q-1.
What are the key properties of [4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
[4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 807.31 g/mol, XLogP of 6.45, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[diethoxy(ethyl)silyl]-2,3,5,6-tetrafluorophenyl]-tris(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 22239752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).