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

C8H14F3N3O2 — CID 55207095

IUPAC(3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C/C(N)=N/O
InChIInChI=1S/C8H14F3N3O2/c1-5(2)14(4-8(9,10)11)7(15)3-6(12)13-16/h5,16H,3-4H2,1-2H3,(H2,12,13)
InChIKeyJXDBCJDAOZWCDR-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.92
Rot. Bonds4

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

(3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 55207095) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID55207095
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C/C(N)=N/O
InChIInChI=1S/C8H14F3N3O2/c1-5(2)14(4-8(9,10)11)7(15)3-6(12)13-16/h5,16H,3-4H2,1-2H3,(H2,12,13)
InChIKeyJXDBCJDAOZWCDR-UHFFFAOYSA-N
XLogP0.92
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.92
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-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 55207095) is (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide is CC(C)N(CC(F)(F)F)C(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JXDBCJDAOZWCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c1-5(2)14(4-8(9,10)11)7(15)3-6(12)13-16/h5,16H,3-4H2,1-2H3,(H2,12,13).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 241.21 g/mol, XLogP of 0.92, 4 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-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 55207095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).