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

C13H15F3N2O — CID 115514135

IUPAC(NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESO/N=C1/CCN(CCCC(F)(F)F)c2ccccc21
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)7-3-8-18-9-6-11(17-19)10-4-1-2-5-12(10)18/h1-2,4-5,19H,3,6-9H2/b17-11-
InChIKeyVTXBUVHQTQDRRT-BOPFTXTBSA-N
MW272.27 g/mol
LogP3.42
Rot. Bonds3

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

(NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (PubChem CID 115514135) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is (NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
PubChem CID115514135
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name(NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
SMILESO/N=C1/CCN(CCCC(F)(F)F)c2ccccc21
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)7-3-8-18-9-6-11(17-19)10-4-1-2-5-12(10)18/h1-2,4-5,19H,3,6-9H2/b17-11-
InChIKeyVTXBUVHQTQDRRT-BOPFTXTBSA-N
XLogP3.42
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.42
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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Related Compounds

(NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 78992106
(NZ)-N-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 103410031
N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033810
5-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]pentanenitrile
CID 114337332
N-[1-(3-imidazol-1-ylpropyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033455
N-[1-(2-propan-2-yloxyethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033411
(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337205
3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N,N-dimethylpropanamide
CID 77033749
(NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 107912556
N-[1-[2-(2-methylimidazol-1-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033884
(NZ)-N-[1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337229
N-[1-(pyridin-3-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033864

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine (CID 115514135) is (NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is O/N=C1/CCN(CCCC(F)(F)F)c2ccccc21.
What is the InChIKey of (NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
The InChIKey is VTXBUVHQTQDRRT-BOPFTXTBSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)7-3-8-18-9-6-11(17-19)10-4-1-2-5-12(10)18/h1-2,4-5,19H,3,6-9H2/b17-11-.
What are the key properties of (NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine?
(NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine has a molecular weight of 272.27 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4,4,4-trifluorobutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine is sourced from PubChem (CID 115514135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).