N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C8H11F6N3O2 — CID 103310824

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCC(CNC(=O)C(C(F)(F)F)C(F)(F)F)C(N)=NO
InChIInChI=1S/C8H11F6N3O2/c1-3(5(15)17-19)2-16-6(18)4(7(9,10)11)8(12,13)14/h3-4,19H,2H2,1H3,(H2,15,17)(H,16,18)
InChIKeyLLQABBVJFRGNSO-UHFFFAOYSA-N
MW295.18 g/mol
LogP1.23
Rot. Bonds4

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103310824) has the molecular formula C8H11F6N3O2 and a molecular weight of 295.18 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103310824
Molecular FormulaC8H11F6N3O2
Molecular Weight295.18 g/mol
Exact Mass295.08
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCC(CNC(=O)C(C(F)(F)F)C(F)(F)F)C(N)=NO
InChIInChI=1S/C8H11F6N3O2/c1-3(5(15)17-19)2-16-6(18)4(7(9,10)11)8(12,13)14/h3-4,19H,2H2,1H3,(H2,15,17)(H,16,18)
InChIKeyLLQABBVJFRGNSO-UHFFFAOYSA-N
XLogP1.23
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 51.23
H-Bond Donors ≤ 53
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-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103310824) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is CC(CNC(=O)C(C(F)(F)F)C(F)(F)F)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is LLQABBVJFRGNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6N3O2/c1-3(5(15)17-19)2-16-6(18)4(7(9,10)11)8(12,13)14/h3-4,19H,2H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 295.18 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).