N-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C10H16F3N3O2 — CID 104622537

IUPACN-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(CNC(=O)C1CCCCC1C(F)(F)F)=NO
InChIInChI=1S/C10H16F3N3O2/c11-10(12,13)7-4-2-1-3-6(7)9(17)15-5-8(14)16-18/h6-7,18H,1-5H2,(H2,14,16)(H,15,17)
InChIKeyZLBSOUHLEBWPHG-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.22
Rot. Bonds3

About N-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104622537) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104622537
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(CNC(=O)C1CCCCC1C(F)(F)F)=NO
InChIInChI=1S/C10H16F3N3O2/c11-10(12,13)7-4-2-1-3-6(7)9(17)15-5-8(14)16-18/h6-7,18H,1-5H2,(H2,14,16)(H,15,17)
InChIKeyZLBSOUHLEBWPHG-UHFFFAOYSA-N
XLogP1.22
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.22
H-Bond Donors ≤ 53
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 N-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104622537) is N-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is NC(CNC(=O)C1CCCCC1C(F)(F)F)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is ZLBSOUHLEBWPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c11-10(12,13)7-4-2-1-3-6(7)9(17)15-5-8(14)16-18/h6-7,18H,1-5H2,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 267.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104622537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).