3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide

C9H17F2N3O3 — CID 107482223

IUPAC3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)N(CCO)CC(F)F)C(N)=NO
InChIInChI=1S/C9H17F2N3O3/c1-9(2,7(12)13-17)8(16)14(3-4-15)5-6(10)11/h6,15,17H,3-5H2,1-2H3,(H2,12,13)
InChIKeyOYYIZBZTSFMQDP-UHFFFAOYSA-N
MW253.25 g/mol
LogP-0.16
Rot. Bonds6

About 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide

3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide (PubChem CID 107482223) has the molecular formula C9H17F2N3O3 and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide
PubChem CID107482223
Molecular FormulaC9H17F2N3O3
Molecular Weight253.25 g/mol
Exact Mass253.12
IUPAC Name3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)N(CCO)CC(F)F)C(N)=NO
InChIInChI=1S/C9H17F2N3O3/c1-9(2,7(12)13-17)8(16)14(3-4-15)5-6(10)11/h6,15,17H,3-5H2,1-2H3,(H2,12,13)
InChIKeyOYYIZBZTSFMQDP-UHFFFAOYSA-N
XLogP-0.16
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 5-0.16
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-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide (CID 107482223) is 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide is CC(C)(C(=O)N(CCO)CC(F)F)C(N)=NO.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The InChIKey is OYYIZBZTSFMQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3O3/c1-9(2,7(12)13-17)8(16)14(3-4-15)5-6(10)11/h6,15,17H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide?
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide has a molecular weight of 253.25 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2,2-dimethylpropanamide is sourced from PubChem (CID 107482223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).