3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide

C9H16F3N3O3 — CID 107482239

IUPAC3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(C(=O)N(CCO)CC(F)(F)F)C(N)=NO
InChIInChI=1S/C9H16F3N3O3/c1-8(2,6(13)14-18)7(17)15(3-4-16)5-9(10,11)12/h16,18H,3-5H2,1-2H3,(H2,13,14)
InChIKeyIMRSXWSHSDDBDH-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.14
Rot. Bonds5

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

3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 107482239) has the molecular formula C9H16F3N3O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID107482239
Molecular FormulaC9H16F3N3O3
Molecular Weight271.24 g/mol
Exact Mass271.11
IUPAC Name3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(C(=O)N(CCO)CC(F)(F)F)C(N)=NO
InChIInChI=1S/C9H16F3N3O3/c1-8(2,6(13)14-18)7(17)15(3-4-16)5-9(10,11)12/h16,18H,3-5H2,1-2H3,(H2,13,14)
InChIKeyIMRSXWSHSDDBDH-UHFFFAOYSA-N
XLogP0.14
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide (CID 107482239) is 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C)(C(=O)N(CCO)CC(F)(F)F)C(N)=NO.
What is the InChIKey of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is IMRSXWSHSDDBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3/c1-8(2,6(13)14-18)7(17)15(3-4-16)5-9(10,11)12/h16,18H,3-5H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 271.24 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 107482239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).