N-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine

C11H13F3N2O — CID 164862104

IUPACN-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
SMILESCN(C)CC(=NO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O/c1-16(2)7-10(15-17)8-3-5-9(6-4-8)11(12,13)14/h3-6,17H,7H2,1-2H3
InChIKeyPXOKGMRYSYESGF-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.45
Rot. Bonds3

About N-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine

N-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine (PubChem CID 164862104) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
PubChem CID164862104
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
SMILESCN(C)CC(=NO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O/c1-16(2)7-10(15-17)8-3-5-9(6-4-8)11(12,13)14/h3-6,17H,7H2,1-2H3
InChIKeyPXOKGMRYSYESGF-UHFFFAOYSA-N
XLogP2.45
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.45
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

(NE)-N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine
CID 170431852
(NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine
CID 170430543
(NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
CID 19995449
N-hydroxy-N-methyl-4-(trifluoromethyl)benzamide
CID 10420962
N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine
CID 155275361
N-[1-[3,5-bis(trifluoromethyl)phenyl]-2-methylsulfanylethylidene]hydroxylamine
CID 141086010
N'-propyl-4-(trifluoromethyl)benzenecarboximidamide
CID 154723292
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 76928306
2-fluoro-N'-hydroxy-N-methyl-4-(trifluoromethyl)-N-[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]benzenecarboximidamide
CID 129271791
[2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol
CID 139855118
CID 101352816
CID 101352816
N-methyl-4-(trifluoromethyl)benzenecarboximidate
CID 58832425

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine (CID 164862104) is N-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine is CN(C)CC(=NO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
The InChIKey is PXOKGMRYSYESGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-16(2)7-10(15-17)8-3-5-9(6-4-8)11(12,13)14/h3-6,17H,7H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
N-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine has a molecular weight of 246.23 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 164862104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).