trifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide

C5H11BF3N2O- — CID 63701476

IUPACtrifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide
SMILESCNC(=O)CN(C)C[B-](F)(F)F
InChIInChI=1S/C5H11BF3N2O/c1-10-5(12)3-11(2)4-6(7,8)9/h3-4H2,1-2H3,(H,10,12)/q-1
InChIKeyHEEWUOZDIBBMGJ-UHFFFAOYSA-N
MW182.96 g/mol
LogP0.05
Rot. Bonds4

About trifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide

trifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide (PubChem CID 63701476) has the molecular formula C5H11BF3N2O- and a molecular weight of 182.96 g/mol. Its IUPAC name is trifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide
PubChem CID63701476
Molecular FormulaC5H11BF3N2O-
Molecular Weight182.96 g/mol
Exact Mass183.09
IUPAC Nametrifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide
SMILESCNC(=O)CN(C)C[B-](F)(F)F
InChIInChI=1S/C5H11BF3N2O/c1-10-5(12)3-11(2)4-6(7,8)9/h3-4H2,1-2H3,(H,10,12)/q-1
InChIKeyHEEWUOZDIBBMGJ-UHFFFAOYSA-N
XLogP0.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.96
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide
CID 63703325
2-[(3,3-dimethyl-2-oxobutyl)-methylamino]-N-methylacetamide
CID 62052759
2-[butyl(methyl)amino]-N-methylacetamide
CID 123914364
2-[4-aminobutyl(methyl)amino]-N-methylacetamide
CID 43374665
2-[dodecyl(methyl)amino]-N-methylacetamide
CID 87591465
N-methyl-2-[methyl(propan-2-yl)amino]acetamide
CID 89311183
N-methyl-2-[methyl-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]amino]acetamide
CID 60680858
2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680875
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 79797429
2-[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60681026
2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide
CID 63760118
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434

Frequently Asked Questions

What is the IUPAC name of trifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide?
The IUPAC name of trifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide (CID 63701476) is trifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide.
What is the SMILES notation for trifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide?
The canonical SMILES for trifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide is CNC(=O)CN(C)C[B-](F)(F)F.
What is the InChIKey of trifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide?
The InChIKey is HEEWUOZDIBBMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BF3N2O/c1-10-5(12)3-11(2)4-6(7,8)9/h3-4H2,1-2H3,(H,10,12)/q-1.
What are the key properties of trifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide?
trifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide has a molecular weight of 182.96 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]boranuide is sourced from PubChem (CID 63701476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).