(NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine

C10H12ClFN2O — CID 170430543

IUPAC(NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine
SMILESCN(C)C/C(=N/O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H12ClFN2O/c1-14(2)6-10(13-15)7-3-4-8(11)9(12)5-7/h3-5,15H,6H2,1-2H3/b13-10-
InChIKeyOGGLIYIZVVDSMC-RAXLEYEMSA-N
MW230.67 g/mol
LogP2.22
Rot. Bonds3

About (NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine

(NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine (PubChem CID 170430543) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is (NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine
PubChem CID170430543
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name(NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine
SMILESCN(C)C/C(=N/O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H12ClFN2O/c1-14(2)6-10(13-15)7-3-4-8(11)9(12)5-7/h3-5,15H,6H2,1-2H3/b13-10-
InChIKeyOGGLIYIZVVDSMC-RAXLEYEMSA-N
XLogP2.22
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.22
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-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine (CID 170430543) is (NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine is CN(C)C/C(=N/O)c1ccc(Cl)c(F)c1.
What is the InChIKey of (NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine?
The InChIKey is OGGLIYIZVVDSMC-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-14(2)6-10(13-15)7-3-4-8(11)9(12)5-7/h3-5,15H,6H2,1-2H3/b13-10-.
What are the key properties of (NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine?
(NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine has a molecular weight of 230.67 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine is sourced from PubChem (CID 170430543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).