N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide

C7H13F3N2O2 — CID 130913971

IUPACN-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide
SMILESCC(C)C(CNC(=O)C(F)(F)F)ON
InChIInChI=1S/C7H13F3N2O2/c1-4(2)5(14-11)3-12-6(13)7(8,9)10/h4-5H,3,11H2,1-2H3,(H,12,13)
InChIKeyVUPXTQUTQSQACJ-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.58
Rot. Bonds4

About N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide

N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide (PubChem CID 130913971) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide
PubChem CID130913971
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC NameN-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide
SMILESCC(C)C(CNC(=O)C(F)(F)F)ON
InChIInChI=1S/C7H13F3N2O2/c1-4(2)5(14-11)3-12-6(13)7(8,9)10/h4-5H,3,11H2,1-2H3,(H,12,13)
InChIKeyVUPXTQUTQSQACJ-UHFFFAOYSA-N
XLogP0.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide
CID 130006525
2,2,2-trifluoro-N-[(2R)-2-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 7038847
2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide
CID 130901653
N-(4-bromo-2-methyl-3-oxobutyl)-2,2,2-trifluoroacetamide
CID 104701210
1-[(2,2,2-trifluoroacetyl)amino]propane-2-sulfonyl chloride
CID 84707964
2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide
CID 115190376
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
N-(2-aminopropyl)-2,2-difluoropropanamide
CID 126985905
O-(1-fluoro-3-methylbutan-2-yl)hydroxylamine
CID 131015295
ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 44721217
methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate
CID 23278807
N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide
CID 87830198

Frequently Asked Questions

What is the IUPAC name of N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide (CID 130913971) is N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide is CC(C)C(CNC(=O)C(F)(F)F)ON.
What is the InChIKey of N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide?
The InChIKey is VUPXTQUTQSQACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c1-4(2)5(14-11)3-12-6(13)7(8,9)10/h4-5H,3,11H2,1-2H3,(H,12,13).
What are the key properties of N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide?
N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide has a molecular weight of 214.19 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminooxy-3-methylbutyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130913971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).