N-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine

C12H13F3N2O2 — CID 77100289

IUPACN-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCOC(F)(F)F)c2ccccc21
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)19-8-7-17-6-5-10(16-18)9-3-1-2-4-11(9)17/h1-4,18H,5-8H2
InChIKeyBTVPMUGFRIFLJE-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.61
Rot. Bonds3

About N-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine

N-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 77100289) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID77100289
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CCOC(F)(F)F)c2ccccc21
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)19-8-7-17-6-5-10(16-18)9-3-1-2-4-11(9)17/h1-4,18H,5-8H2
InChIKeyBTVPMUGFRIFLJE-UHFFFAOYSA-N
XLogP2.61
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 77100289) is N-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine is ON=C1CCN(CCOC(F)(F)F)c2ccccc21.
What is the InChIKey of N-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is BTVPMUGFRIFLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)19-8-7-17-6-5-10(16-18)9-3-1-2-4-11(9)17/h1-4,18H,5-8H2.
What are the key properties of N-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
N-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine has a molecular weight of 274.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(trifluoromethoxy)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 77100289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).