(NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

C11H11F3N2O — CID 78992106

IUPAC(NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESO/N=C1/CCN(CC(F)(F)F)c2ccccc21
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)7-16-6-5-9(15-17)8-3-1-2-4-10(8)16/h1-4,17H,5-7H2/b15-9-
InChIKeyKNLNLSWODONOSC-DHDCSXOGSA-N
MW244.22 g/mol
LogP2.64
Rot. Bonds1

About (NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine

(NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 78992106) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is (NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID78992106
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name(NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESO/N=C1/CCN(CC(F)(F)F)c2ccccc21
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)7-16-6-5-9(15-17)8-3-1-2-4-10(8)16/h1-4,17H,5-7H2/b15-9-
InChIKeyKNLNLSWODONOSC-DHDCSXOGSA-N
XLogP2.64
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 78992106) is (NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is O/N=C1/CCN(CC(F)(F)F)c2ccccc21.
What is the InChIKey of (NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is KNLNLSWODONOSC-DHDCSXOGSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)7-16-6-5-9(15-17)8-3-1-2-4-10(8)16/h1-4,17H,5-7H2/b15-9-.
What are the key properties of (NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
(NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine has a molecular weight of 244.22 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 78992106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).