butyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide

C11H22BF8N — CID 134716296

IUPACbutyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESCCCC[N+](C)(CC)CC.F[B-](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H22N.C2BF8/c1-5-8-9-10(4,6-2)7-3;4-1(5,2(6,7)8)3(9,10)11/h5-9H2,1-4H3;/q+1;-1
InChIKeyNUUCOFDOJHIHAG-UHFFFAOYSA-N
MW331.10 g/mol
LogP4.84
Rot. Bonds6

About butyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide

butyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide (PubChem CID 134716296) has the molecular formula C11H22BF8N and a molecular weight of 331.10 g/mol. Its IUPAC name is butyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide.

Molecular Properties

Compound Namebutyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
PubChem CID134716296
Molecular FormulaC11H22BF8N
Molecular Weight331.10 g/mol
Exact Mass331.17
IUPAC Namebutyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESCCCC[N+](C)(CC)CC.F[B-](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H22N.C2BF8/c1-5-8-9-10(4,6-2)7-3;4-1(5,2(6,7)8)3(9,10)11/h5-9H2,1-4H3;/q+1;-1
InChIKeyNUUCOFDOJHIHAG-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.10
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The IUPAC name of butyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide (CID 134716296) is butyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide.
What is the SMILES notation for butyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The canonical SMILES for butyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide is CCCC[N+](C)(CC)CC.F[B-](F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of butyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The InChIKey is NUUCOFDOJHIHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N.C2BF8/c1-5-8-9-10(4,6-2)7-3;4-1(5,2(6,7)8)3(9,10)11/h5-9H2,1-4H3;/q+1;-1.
What are the key properties of butyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
butyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide has a molecular weight of 331.10 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-diethyl-methylazanium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide is sourced from PubChem (CID 134716296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).