N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C8H14F3N3O3 — CID 103211495

IUPACN-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(NC(=O)COCC(F)(F)F)C(N)=NO
InChIInChI=1S/C8H14F3N3O3/c1-2-5(7(12)14-16)13-6(15)3-17-4-8(9,10)11/h5,16H,2-4H2,1H3,(H2,12,14)(H,13,15)
InChIKeyVLCKIEFOQHPBDW-UHFFFAOYSA-N
MW257.21 g/mol
LogP0.21
Rot. Bonds6

About N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103211495) has the molecular formula C8H14F3N3O3 and a molecular weight of 257.21 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103211495
Molecular FormulaC8H14F3N3O3
Molecular Weight257.21 g/mol
Exact Mass257.10
IUPAC NameN-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(NC(=O)COCC(F)(F)F)C(N)=NO
InChIInChI=1S/C8H14F3N3O3/c1-2-5(7(12)14-16)13-6(15)3-17-4-8(9,10)11/h5,16H,2-4H2,1H3,(H2,12,14)(H,13,15)
InChIKeyVLCKIEFOQHPBDW-UHFFFAOYSA-N
XLogP0.21
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 50.21
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 N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103211495) is N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CCC(NC(=O)COCC(F)(F)F)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is VLCKIEFOQHPBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O3/c1-2-5(7(12)14-16)13-6(15)3-17-4-8(9,10)11/h5,16H,2-4H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 257.21 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103211495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).