(diethylazaniumyl)methyl-trifluoroboranuide

C5H13BF3N — CID 53243643

IUPAC(diethylazaniumyl)methyl-trifluoroboranuide
SMILESCC[NH+](CC)C[B-](F)(F)F
InChIInChI=1S/C5H12BF3N/c1-3-10(4-2)5-6(7,8)9/h3-5H2,1-2H3/q-1/p+1
InChIKeyKIODRGYVLULDDN-UHFFFAOYSA-O
MW154.97 g/mol
LogP0.30
Rot. Bonds4

About (diethylazaniumyl)methyl-trifluoroboranuide

(diethylazaniumyl)methyl-trifluoroboranuide (PubChem CID 53243643) has the molecular formula C5H13BF3N and a molecular weight of 154.97 g/mol. Its IUPAC name is (diethylazaniumyl)methyl-trifluoroboranuide.

Molecular Properties

Compound Name(diethylazaniumyl)methyl-trifluoroboranuide
PubChem CID53243643
Molecular FormulaC5H13BF3N
Molecular Weight154.97 g/mol
Exact Mass155.11
IUPAC Name(diethylazaniumyl)methyl-trifluoroboranuide
SMILESCC[NH+](CC)C[B-](F)(F)F
InChIInChI=1S/C5H12BF3N/c1-3-10(4-2)5-6(7,8)9/h3-5H2,1-2H3/q-1/p+1
InChIKeyKIODRGYVLULDDN-UHFFFAOYSA-O
XLogP0.30
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.97
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium triethylazanium
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ethyl(dimethyl)azanium tetrafluoroborate
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methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium)
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triethylazanium;2,2,2-trifluoroethanolate
CID 87553441
tetrakis(3,5-difluorophenyl)boranuide;triethylazanium
CID 175777730
dioxido(oxo)titanium;bis(triethylazanium)
CID 88846724
[(2R)-3-chloro-2-hydroxypropyl]-diethylazanium
CID 7335612
butan-2-ylsulfanylmethyl(trifluoro)boranuide
CID 63704711
CID 16557825
CID 16557825
phosphenous acid;triethylazanium;hydrate
CID 131728704
tetraphenylboranuide;triethylazanium
CID 11080326

Frequently Asked Questions

What is the IUPAC name of (diethylazaniumyl)methyl-trifluoroboranuide?
The IUPAC name of (diethylazaniumyl)methyl-trifluoroboranuide (CID 53243643) is (diethylazaniumyl)methyl-trifluoroboranuide.
What is the SMILES notation for (diethylazaniumyl)methyl-trifluoroboranuide?
The canonical SMILES for (diethylazaniumyl)methyl-trifluoroboranuide is CC[NH+](CC)C[B-](F)(F)F.
What is the InChIKey of (diethylazaniumyl)methyl-trifluoroboranuide?
The InChIKey is KIODRGYVLULDDN-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12BF3N/c1-3-10(4-2)5-6(7,8)9/h3-5H2,1-2H3/q-1/p+1.
What are the key properties of (diethylazaniumyl)methyl-trifluoroboranuide?
(diethylazaniumyl)methyl-trifluoroboranuide has a molecular weight of 154.97 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (diethylazaniumyl)methyl-trifluoroboranuide is sourced from PubChem (CID 53243643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).