(NE)-N-[2,2,2-trifluoro-1-[3-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine

C11H12F3NO3 — CID 155933661

IUPAC(NE)-N-[2,2,2-trifluoro-1-[3-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine
SMILESCOCOc1cc(/C(=N\O)C(F)(F)F)ccc1C
InChIInChI=1S/C11H12F3NO3/c1-7-3-4-8(5-9(7)18-6-17-2)10(15-16)11(12,13)14/h3-5,16H,6H2,1-2H3/b15-10+
InChIKeyYMKRIANLVAQBTB-XNTDXEJSSA-N
MW263.21 g/mol
LogP2.72
Rot. Bonds4

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

(NE)-N-[2,2,2-trifluoro-1-[3-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine (PubChem CID 155933661) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is (NE)-N-[2,2,2-trifluoro-1-[3-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2,2,2-trifluoro-1-[3-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine
PubChem CID155933661
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name(NE)-N-[2,2,2-trifluoro-1-[3-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine
SMILESCOCOc1cc(/C(=N\O)C(F)(F)F)ccc1C
InChIInChI=1S/C11H12F3NO3/c1-7-3-4-8(5-9(7)18-6-17-2)10(15-16)11(12,13)14/h3-5,16H,6H2,1-2H3/b15-10+
InChIKeyYMKRIANLVAQBTB-XNTDXEJSSA-N
XLogP2.72
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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

1-(2-Methoxyphenyl)ethan-1-one oxime
CID 9601268
3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 2881249
2-Methoxyacetophenone, oxime
CID 5824625
N-[bis(3-methoxyphenyl)methylidene]hydroxylamine
CID 44317688
5-(Fluoromethyl)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 102340042
N-[1-(2-methoxyphenyl)ethylidene]hydroxylamine
CID 339125
2,2,2-Trifluoro-1-(4-methoxyphenyl)-1-ethanone oxime
CID 10376114
5'-Fluoro-2'-methoxyacetophenone oxime
CID 24832577
2,6-Diisopropyl-3-trifluoroacetyl anisole oxime
CID 71668419
2-Isopropyl-6-trifluoroacetyl anisole oxime
CID 71668430
[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-(trifluoromethyl)phenyl] acetate
CID 164678730
(E)-N-methoxy-1-(3-methoxyphenyl)ethanimine
CID 11041295

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2,2,2-trifluoro-1-[3-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2,2,2-trifluoro-1-[3-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine (CID 155933661) is (NE)-N-[2,2,2-trifluoro-1-[3-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2,2,2-trifluoro-1-[3-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2,2,2-trifluoro-1-[3-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine is COCOc1cc(/C(=N\O)C(F)(F)F)ccc1C.
What is the InChIKey of (NE)-N-[2,2,2-trifluoro-1-[3-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine?
The InChIKey is YMKRIANLVAQBTB-XNTDXEJSSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-7-3-4-8(5-9(7)18-6-17-2)10(15-16)11(12,13)14/h3-5,16H,6H2,1-2H3/b15-10+.
What are the key properties of (NE)-N-[2,2,2-trifluoro-1-[3-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine?
(NE)-N-[2,2,2-trifluoro-1-[3-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine has a molecular weight of 263.21 g/mol, XLogP of 2.72, 4 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-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 155933661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).