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

C8H15F2N3O3 — CID 107482213

IUPAC3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)N(CCO)CC(F)F)C(N)=NO
InChIInChI=1S/C8H15F2N3O3/c1-5(7(11)12-16)8(15)13(2-3-14)4-6(9)10/h5-6,14,16H,2-4H2,1H3,(H2,11,12)
InChIKeyOUJMFSWUYKTRHT-UHFFFAOYSA-N
MW239.22 g/mol
LogP-0.55
Rot. Bonds6

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

3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide (PubChem CID 107482213) has the molecular formula C8H15F2N3O3 and a molecular weight of 239.22 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide
PubChem CID107482213
Molecular FormulaC8H15F2N3O3
Molecular Weight239.22 g/mol
Exact Mass239.11
IUPAC Name3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)N(CCO)CC(F)F)C(N)=NO
InChIInChI=1S/C8H15F2N3O3/c1-5(7(11)12-16)8(15)13(2-3-14)4-6(9)10/h5-6,14,16H,2-4H2,1H3,(H2,11,12)
InChIKeyOUJMFSWUYKTRHT-UHFFFAOYSA-N
XLogP-0.55
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 5-0.55
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-methylpropanamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide (CID 107482213) is 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide is CC(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-methylpropanamide?
The InChIKey is OUJMFSWUYKTRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O3/c1-5(7(11)12-16)8(15)13(2-3-14)4-6(9)10/h5-6,14,16H,2-4H2,1H3,(H2,11,12).
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide?
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyimino-2-methylpropanamide has a molecular weight of 239.22 g/mol, XLogP of -0.55, 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-methylpropanamide is sourced from PubChem (CID 107482213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).