(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide

C6H10F3N3O2 — CID 60890842

IUPAC(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCN(CC(F)(F)F)C(=O)C/C(N)=N/O
InChIInChI=1S/C6H10F3N3O2/c1-12(3-6(7,8)9)5(13)2-4(10)11-14/h14H,2-3H2,1H3,(H2,10,11)
InChIKeyPZXOVMCOXXFCQU-UHFFFAOYSA-N
MW213.16 g/mol
LogP0.14
Rot. Bonds3

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

(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60890842) has the molecular formula C6H10F3N3O2 and a molecular weight of 213.16 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60890842
Molecular FormulaC6H10F3N3O2
Molecular Weight213.16 g/mol
Exact Mass213.07
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCN(CC(F)(F)F)C(=O)C/C(N)=N/O
InChIInChI=1S/C6H10F3N3O2/c1-12(3-6(7,8)9)5(13)2-4(10)11-14/h14H,2-3H2,1H3,(H2,10,11)
InChIKeyPZXOVMCOXXFCQU-UHFFFAOYSA-N
XLogP0.14
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 60890842) is (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide is CN(CC(F)(F)F)C(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PZXOVMCOXXFCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O2/c1-12(3-6(7,8)9)5(13)2-4(10)11-14/h14H,2-3H2,1H3,(H2,10,11).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 213.16 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 60890842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).