N-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide

C8H11F6N3O2 — CID 103310820

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
SMILESCC(C(N)=NO)N(C)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6N3O2/c1-3(5(15)16-19)17(2)6(18)4(7(9,10)11)8(12,13)14/h3-4,19H,1-2H3,(H2,15,16)
InChIKeyHTIHMZZATABJOA-UHFFFAOYSA-N
MW295.18 g/mol
LogP1.32
Rot. Bonds3

About N-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide (PubChem CID 103310820) has the molecular formula C8H11F6N3O2 and a molecular weight of 295.18 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
PubChem CID103310820
Molecular FormulaC8H11F6N3O2
Molecular Weight295.18 g/mol
Exact Mass295.08
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
SMILESCC(C(N)=NO)N(C)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6N3O2/c1-3(5(15)16-19)17(2)6(18)4(7(9,10)11)8(12,13)14/h3-4,19H,1-2H3,(H2,15,16)
InChIKeyHTIHMZZATABJOA-UHFFFAOYSA-N
XLogP1.32
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide (CID 103310820) is N-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide is CC(C(N)=NO)N(C)C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
The InChIKey is HTIHMZZATABJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6N3O2/c1-3(5(15)16-19)17(2)6(18)4(7(9,10)11)8(12,13)14/h3-4,19H,1-2H3,(H2,15,16).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide has a molecular weight of 295.18 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).