tris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide

C27H13BF15OSi- — CID 173158368

IUPACtris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide
SMILESCC(C)O[SiH2]c1ccc([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)cc1
InChIInChI=1S/C27H13BF15OSi/c1-7(2)44-45-9-5-3-8(4-6-9)28(10-13(29)19(35)25(41)20(36)14(10)30,11-15(31)21(37)26(42)22(38)16(11)32)12-17(33)23(39)27(43)24(40)18(12)34/h3-7H,45H2,1-2H3/q-1
InChIKeySYYHPTMYKDYYQP-UHFFFAOYSA-N
MW677.27 g/mol
LogP4.28
Rot. Bonds7

About tris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide

tris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide (PubChem CID 173158368) has the molecular formula C27H13BF15OSi- and a molecular weight of 677.27 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide
PubChem CID173158368
Molecular FormulaC27H13BF15OSi-
Molecular Weight677.27 g/mol
Exact Mass677.06
IUPAC Nametris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide
SMILESCC(C)O[SiH2]c1ccc([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)cc1
InChIInChI=1S/C27H13BF15OSi/c1-7(2)44-45-9-5-3-8(4-6-9)28(10-13(29)19(35)25(41)20(36)14(10)30,11-15(31)21(37)26(42)22(38)16(11)32)12-17(33)23(39)27(43)24(40)18(12)34/h3-7H,45H2,1-2H3/q-1
InChIKeySYYHPTMYKDYYQP-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500677.27
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide?
The IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide (CID 173158368) is tris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide.
What is the SMILES notation for tris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide?
The canonical SMILES for tris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide is CC(C)O[SiH2]c1ccc([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)cc1.
What is the InChIKey of tris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide?
The InChIKey is SYYHPTMYKDYYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H13BF15OSi/c1-7(2)44-45-9-5-3-8(4-6-9)28(10-13(29)19(35)25(41)20(36)14(10)30,11-15(31)21(37)26(42)22(38)16(11)32)12-17(33)23(39)27(43)24(40)18(12)34/h3-7H,45H2,1-2H3/q-1.
What are the key properties of tris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide?
tris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide has a molecular weight of 677.27 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5,6-pentafluorophenyl)-(4-propan-2-yloxysilylphenyl)boranuide is sourced from PubChem (CID 173158368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).