(NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine

C10H11F3N2O — CID 5405704

IUPAC(NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine
SMILESCN(C)c1ccc(/C(=N\O)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c1-15(2)8-5-3-7(4-6-8)9(14-16)10(11,12)13/h3-6,16H,1-2H3/b14-9+
InChIKeyMGYZWTOQCDBJDD-NTEUORMPSA-N
MW232.21 g/mol
LogP2.49
Rot. Bonds2

About (NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine

(NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine (PubChem CID 5405704) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is (NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine
PubChem CID5405704
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name(NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine
SMILESCN(C)c1ccc(/C(=N\O)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3N2O/c1-15(2)8-5-3-7(4-6-8)9(14-16)10(11,12)13/h3-6,16H,1-2H3/b14-9+
InChIKeyMGYZWTOQCDBJDD-NTEUORMPSA-N
XLogP2.49
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.49
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 (NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine (CID 5405704) is (NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine is CN(C)c1ccc(/C(=N\O)C(F)(F)F)cc1.
What is the InChIKey of (NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine?
The InChIKey is MGYZWTOQCDBJDD-NTEUORMPSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-15(2)8-5-3-7(4-6-8)9(14-16)10(11,12)13/h3-6,16H,1-2H3/b14-9+.
What are the key properties of (NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine?
(NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine has a molecular weight of 232.21 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethylidene]hydroxylamine is sourced from PubChem (CID 5405704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).