N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide

C9H16F3N3O3 — CID 103211639

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)N(CC(N)=NO)C(=O)COCC(F)(F)F
InChIInChI=1S/C9H16F3N3O3/c1-6(2)15(3-7(13)14-17)8(16)4-18-5-9(10,11)12/h6,17H,3-5H2,1-2H3,(H2,13,14)
InChIKeyHKSKYYHPDNNQDK-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.55
Rot. Bonds6

About N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103211639) has the molecular formula C9H16F3N3O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103211639
Molecular FormulaC9H16F3N3O3
Molecular Weight271.24 g/mol
Exact Mass271.11
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)N(CC(N)=NO)C(=O)COCC(F)(F)F
InChIInChI=1S/C9H16F3N3O3/c1-6(2)15(3-7(13)14-17)8(16)4-18-5-9(10,11)12/h6,17H,3-5H2,1-2H3,(H2,13,14)
InChIKeyHKSKYYHPDNNQDK-UHFFFAOYSA-N
XLogP0.55
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
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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Related Compounds

N'-hydroxy-2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanimidamide
CID 77044645
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211492
N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211495
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211498
N-(2-amino-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211511
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211532
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211537
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211541
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211545
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211549
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211553
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211556

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103211639) is N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)N(CC(N)=NO)C(=O)COCC(F)(F)F.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is HKSKYYHPDNNQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3/c1-6(2)15(3-7(13)14-17)8(16)4-18-5-9(10,11)12/h6,17H,3-5H2,1-2H3,(H2,13,14).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 271.24 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103211639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).