[cyclopropyl(methyl)amino]methyl-trifluoroboranuide

C5H10BF3N- — CID 63704886

IUPAC[cyclopropyl(methyl)amino]methyl-trifluoroboranuide
SMILESCN(C[B-](F)(F)F)C1CC1
InChIInChI=1S/C5H10BF3N/c1-10(5-2-3-5)4-6(7,8)9/h5H,2-4H2,1H3/q-1
InChIKeyKIHIZSISQPMCIR-UHFFFAOYSA-N
MW151.95 g/mol
LogP1.47
Rot. Bonds3

About [cyclopropyl(methyl)amino]methyl-trifluoroboranuide

[cyclopropyl(methyl)amino]methyl-trifluoroboranuide (PubChem CID 63704886) has the molecular formula C5H10BF3N- and a molecular weight of 151.95 g/mol. Its IUPAC name is [cyclopropyl(methyl)amino]methyl-trifluoroboranuide.

Molecular Properties

Compound Name[cyclopropyl(methyl)amino]methyl-trifluoroboranuide
PubChem CID63704886
Molecular FormulaC5H10BF3N-
Molecular Weight151.95 g/mol
Exact Mass152.09
IUPAC Name[cyclopropyl(methyl)amino]methyl-trifluoroboranuide
SMILESCN(C[B-](F)(F)F)C1CC1
InChIInChI=1S/C5H10BF3N/c1-10(5-2-3-5)4-6(7,8)9/h5H,2-4H2,1H3/q-1
InChIKeyKIHIZSISQPMCIR-UHFFFAOYSA-N
XLogP1.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.95
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [cyclopropyl(methyl)amino]methyl-trifluoroboranuide?
The IUPAC name of [cyclopropyl(methyl)amino]methyl-trifluoroboranuide (CID 63704886) is [cyclopropyl(methyl)amino]methyl-trifluoroboranuide.
What is the SMILES notation for [cyclopropyl(methyl)amino]methyl-trifluoroboranuide?
The canonical SMILES for [cyclopropyl(methyl)amino]methyl-trifluoroboranuide is CN(C[B-](F)(F)F)C1CC1.
What is the InChIKey of [cyclopropyl(methyl)amino]methyl-trifluoroboranuide?
The InChIKey is KIHIZSISQPMCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BF3N/c1-10(5-2-3-5)4-6(7,8)9/h5H,2-4H2,1H3/q-1.
What are the key properties of [cyclopropyl(methyl)amino]methyl-trifluoroboranuide?
[cyclopropyl(methyl)amino]methyl-trifluoroboranuide has a molecular weight of 151.95 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopropyl(methyl)amino]methyl-trifluoroboranuide is sourced from PubChem (CID 63704886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).