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

C7H12F3N3O3 — CID 107482230

IUPAC3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide
SMILESNC(CC(=O)N(CCO)CC(F)(F)F)=NO
InChIInChI=1S/C7H12F3N3O3/c8-7(9,10)4-13(1-2-14)6(15)3-5(11)12-16/h14,16H,1-4H2,(H2,11,12)
InChIKeyYNOIHHZKJNTGJL-UHFFFAOYSA-N
MW243.18 g/mol
LogP-0.49
Rot. Bonds5

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

3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 107482230) has the molecular formula C7H12F3N3O3 and a molecular weight of 243.18 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID107482230
Molecular FormulaC7H12F3N3O3
Molecular Weight243.18 g/mol
Exact Mass243.08
IUPAC Name3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide
SMILESNC(CC(=O)N(CCO)CC(F)(F)F)=NO
InChIInChI=1S/C7H12F3N3O3/c8-7(9,10)4-13(1-2-14)6(15)3-5(11)12-16/h14,16H,1-4H2,(H2,11,12)
InChIKeyYNOIHHZKJNTGJL-UHFFFAOYSA-N
XLogP-0.49
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 5-0.49
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-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide (CID 107482230) is 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide is NC(CC(=O)N(CCO)CC(F)(F)F)=NO.
What is the InChIKey of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YNOIHHZKJNTGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O3/c8-7(9,10)4-13(1-2-14)6(15)3-5(11)12-16/h14,16H,1-4H2,(H2,11,12).
What are the key properties of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 243.18 g/mol, XLogP of -0.49, 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-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 107482230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).