(NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine

C15H20F3NO2 — CID 71668419

IUPAC(NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine
SMILESCOc1c(C(C)C)ccc(/C(=N/O)C(F)(F)F)c1C(C)C
InChIInChI=1S/C15H20F3NO2/c1-8(2)10-6-7-11(14(19-20)15(16,17)18)12(9(3)4)13(10)21-5/h6-9,20H,1-5H3/b19-14-
InChIKeyAEAAIRRYLAOINE-RGEXLXHISA-N
MW303.32 g/mol
LogP4.68
Rot. Bonds4

About (NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine

(NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine (PubChem CID 71668419) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is (NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine
PubChem CID71668419
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name(NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine
SMILESCOc1c(C(C)C)ccc(/C(=N/O)C(F)(F)F)c1C(C)C
InChIInChI=1S/C15H20F3NO2/c1-8(2)10-6-7-11(14(19-20)15(16,17)18)12(9(3)4)13(10)21-5/h6-9,20H,1-5H3/b19-14-
InChIKeyAEAAIRRYLAOINE-RGEXLXHISA-N
XLogP4.68
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.68
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

1-(6-Methoxynaphthalen-2-yl)ethanone oxime
CID 2747573
2,6-Diisopropyl-4-trifluoroacetyl anisole oxime
CID 71668410
2,6-Diisopropyl-3-trifluoroacetyl anisole oxime tosylate
CID 71668413
2,6-Diisopropyl-4-(4',4',4'-trifluoro-3'-oxo-butyl)anisole oxime
CID 71668420
2-Isopropyl-6-trifluoroacetyl anisole oxime
CID 71668430
(E)-N-methoxy-1-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]ethanimine
CID 135059516
(NE)-N-[2,2,2-trifluoro-1-[3-(methoxymethoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 155933661
[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-(trifluoromethyl)phenyl] acetate
CID 164678730
e-1-Methyl-2-(1-hydroximinoethyl)-6-methoxy-3,4-dihydronaphthalene
CID 10376601
z-1-Methyl-2-(1-hydroxyiminoethyl)-6-methoxy-3,4-dihydronaphthalene
CID 10466437
5-methoxy-3,4-dihydronaphthalen-1(2H)-one oxime
CID 3532765
(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 58102870

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine (CID 71668419) is (NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine is COc1c(C(C)C)ccc(/C(=N/O)C(F)(F)F)c1C(C)C.
What is the InChIKey of (NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine?
The InChIKey is AEAAIRRYLAOINE-RGEXLXHISA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-8(2)10-6-7-11(14(19-20)15(16,17)18)12(9(3)4)13(10)21-5/h6-9,20H,1-5H3/b19-14-.
What are the key properties of (NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine?
(NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine has a molecular weight of 303.32 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2,2,2-trifluoro-1-[3-methoxy-2,4-di(propan-2-yl)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 71668419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).