(NE)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine

C12H13F3N2O2 — CID 59095720

IUPAC(NE)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine
SMILESO/N=C(\c1cccc(N2CCOCC2)c1)C(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)11(16-18)9-2-1-3-10(8-9)17-4-6-19-7-5-17/h1-3,8,18H,4-7H2/b16-11+
InChIKeySBHRCPBPVUZRFG-LFIBNONCSA-N
MW274.24 g/mol
LogP2.26
Rot. Bonds2

About (NE)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine

(NE)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine (PubChem CID 59095720) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is (NE)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine
PubChem CID59095720
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name(NE)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine
SMILESO/N=C(\c1cccc(N2CCOCC2)c1)C(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)11(16-18)9-2-1-3-10(8-9)17-4-6-19-7-5-17/h1-3,8,18H,4-7H2/b16-11+
InChIKeySBHRCPBPVUZRFG-LFIBNONCSA-N
XLogP2.26
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine (CID 59095720) is (NE)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine is O/N=C(\c1cccc(N2CCOCC2)c1)C(F)(F)F.
What is the InChIKey of (NE)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine?
The InChIKey is SBHRCPBPVUZRFG-LFIBNONCSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)11(16-18)9-2-1-3-10(8-9)17-4-6-19-7-5-17/h1-3,8,18H,4-7H2/b16-11+.
What are the key properties of (NE)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine?
(NE)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine has a molecular weight of 274.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2,2,2-trifluoro-1-(3-morpholin-4-ylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 59095720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).