3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide

C8H14F3N3O2 — CID 76988393

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCC(C)(C(=O)NCCC(F)(F)F)C(N)=NO
InChIInChI=1S/C8H14F3N3O2/c1-7(2,5(12)14-16)6(15)13-4-3-8(9,10)11/h16H,3-4H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyBZOOJMRNQNPEIC-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.83
Rot. Bonds4

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 76988393) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID76988393
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCC(C)(C(=O)NCCC(F)(F)F)C(N)=NO
InChIInChI=1S/C8H14F3N3O2/c1-7(2,5(12)14-16)6(15)13-4-3-8(9,10)11/h16H,3-4H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyBZOOJMRNQNPEIC-UHFFFAOYSA-N
XLogP0.83
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.83
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 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide (CID 76988393) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide is CC(C)(C(=O)NCCC(F)(F)F)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is BZOOJMRNQNPEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c1-7(2,5(12)14-16)6(15)13-4-3-8(9,10)11/h16H,3-4H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 241.21 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 76988393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).