dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide

C12BCl2F10- — CID 139101899

IUPACdichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(F)c(F)c([B-](Cl)(Cl)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C12BCl2F10/c14-13(15,1-3(16)7(20)11(24)8(21)4(1)17)2-5(18)9(22)12(25)10(23)6(2)19/q-1
InChIKeyLLLKWHKDQJKFKM-UHFFFAOYSA-N
MW415.83 g/mol
LogP4.11
Rot. Bonds2

About dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide

dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 139101899) has the molecular formula C12BCl2F10- and a molecular weight of 415.83 g/mol. Its IUPAC name is dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Namedichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID139101899
Molecular FormulaC12BCl2F10-
Molecular Weight415.83 g/mol
Exact Mass414.93
IUPAC Namedichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(F)c(F)c([B-](Cl)(Cl)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C12BCl2F10/c14-13(15,1-3(16)7(20)11(24)8(21)4(1)17)2-5(18)9(22)12(25)10(23)6(2)19/q-1
InChIKeyLLLKWHKDQJKFKM-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.83
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 140502353
dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 173034604
Lithiumtetrakis(pentafluorophenyl)boric acid
CID 86750431
hydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 5246620
sodium difluoro-bis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87367197
magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride
CID 175877855
carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide
CID 161118161
tris(2,3,4,5,6-pentafluorophenyl)-[tris(2,3,4,5,6-pentafluorophenyl)boranuidyliminomethylideneazaniumylidenemethylideneamino]boranuide
CID 102468820
tris(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-methylboranuide
CID 101101216
(dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 5251562
ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87610045
bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87467756

Frequently Asked Questions

What is the IUPAC name of dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 139101899) is dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide is Fc1c(F)c(F)c([B-](Cl)(Cl)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is LLLKWHKDQJKFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12BCl2F10/c14-13(15,1-3(16)7(20)11(24)8(21)4(1)17)2-5(18)9(22)12(25)10(23)6(2)19/q-1.
What are the key properties of dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide?
dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 415.83 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 139101899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).