3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide

C7H13F2N3O3 — CID 107482211

IUPAC3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide
SMILESNC(CC(=O)N(CCO)CC(F)F)=NO
InChIInChI=1S/C7H13F2N3O3/c8-5(9)4-12(1-2-13)7(14)3-6(10)11-15/h5,13,15H,1-4H2,(H2,10,11)
InChIKeyDNQNEAIBKVHKBQ-UHFFFAOYSA-N
MW225.19 g/mol
LogP-0.79
Rot. Bonds6

About 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide

3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide (PubChem CID 107482211) has the molecular formula C7H13F2N3O3 and a molecular weight of 225.19 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide
PubChem CID107482211
Molecular FormulaC7H13F2N3O3
Molecular Weight225.19 g/mol
Exact Mass225.09
IUPAC Name3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide
SMILESNC(CC(=O)N(CCO)CC(F)F)=NO
InChIInChI=1S/C7H13F2N3O3/c8-5(9)4-12(1-2-13)7(14)3-6(10)11-15/h5,13,15H,1-4H2,(H2,10,11)
InChIKeyDNQNEAIBKVHKBQ-UHFFFAOYSA-N
XLogP-0.79
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 5-0.79
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-hydroxyiminopropanamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide (CID 107482211) is 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide is NC(CC(=O)N(CCO)CC(F)F)=NO.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide?
The InChIKey is DNQNEAIBKVHKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O3/c8-5(9)4-12(1-2-13)7(14)3-6(10)11-15/h5,13,15H,1-4H2,(H2,10,11).
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide?
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-hydroxyiminopropanamide has a molecular weight of 225.19 g/mol, XLogP of -0.79, 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-hydroxyiminopropanamide is sourced from PubChem (CID 107482211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).