tetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine

C29H29BF4N3- — CID 175823163

IUPACtetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine
SMILESFc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.[H]N=C(N(C)C)N(C)C
InChIInChI=1S/C24H16BF4.C5H13N3/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;1-7(2)5(6)8(3)4/h1-16H;6H,1-4H3/q-1;
InChIKeyRXEFVQVBWNIDPL-UHFFFAOYSA-N
MW506.38 g/mol
LogP3.66
Rot. Bonds4

About tetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine

tetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine (PubChem CID 175823163) has the molecular formula C29H29BF4N3- and a molecular weight of 506.38 g/mol. Its IUPAC name is tetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Nametetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine
PubChem CID175823163
Molecular FormulaC29H29BF4N3-
Molecular Weight506.38 g/mol
Exact Mass506.24
IUPAC Nametetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine
SMILESFc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.[H]N=C(N(C)C)N(C)C
InChIInChI=1S/C24H16BF4.C5H13N3/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;1-7(2)5(6)8(3)4/h1-16H;6H,1-4H3/q-1;
InChIKeyRXEFVQVBWNIDPL-UHFFFAOYSA-N
XLogP3.66
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

sodium;tetrakis(4-fluorophenyl)boranuide;hydrate
CID 44890704
tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide
CID 139766252
tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium
CID 90018831
2-(4-fluorophenyl)-N,N-dimethylethanimidamide
CID 63182016
(4-fluorophenyl) N,N-dimethylcarbamodithioate
CID 131852205
1-(4-fluorophenyl)-N,N-dimethylethenamine
CID 54285953
N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide
CID 175771685
4-fluoro-N-methyl-N-propylaniline
CID 23197529
(4-fluorophenyl)phosphanium tetrafluoroborate
CID 174967480
N-(dimethylcarbamoyl)-4-fluorobenzamide
CID 134890610
1-[2-(4-fluorophenyl)prop-2-enyl]-1-methylhydrazine;hydrochloride
CID 11521374
N'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine
CID 77110886

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine?
The IUPAC name of tetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine (CID 175823163) is tetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine.
What is the SMILES notation for tetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine?
The canonical SMILES for tetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine is Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.[H]N=C(N(C)C)N(C)C.
What is the InChIKey of tetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine?
The InChIKey is RXEFVQVBWNIDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BF4.C5H13N3/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;1-7(2)5(6)8(3)4/h1-16H;6H,1-4H3/q-1;.
What are the key properties of tetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine?
tetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine has a molecular weight of 506.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 175823163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).