(NZ)-N-[2,2,2-trifluoro-1-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine

C12H14F3NO2 — CID 71668430

IUPAC(NZ)-N-[2,2,2-trifluoro-1-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine
SMILESCOc1c(/C(=N/O)C(F)(F)F)cccc1C(C)C
InChIInChI=1S/C12H14F3NO2/c1-7(2)8-5-4-6-9(10(8)18-3)11(16-17)12(13,14)15/h4-7,17H,1-3H3/b16-11-
InChIKeyTWWCNCUPMPHSKC-WJDWOHSUSA-N
MW261.24 g/mol
LogP3.56
Rot. Bonds3

About (NZ)-N-[2,2,2-trifluoro-1-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine

(NZ)-N-[2,2,2-trifluoro-1-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine (PubChem CID 71668430) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is (NZ)-N-[2,2,2-trifluoro-1-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2,2-trifluoro-1-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine
PubChem CID71668430
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name(NZ)-N-[2,2,2-trifluoro-1-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine
SMILESCOc1c(/C(=N/O)C(F)(F)F)cccc1C(C)C
InChIInChI=1S/C12H14F3NO2/c1-7(2)8-5-4-6-9(10(8)18-3)11(16-17)12(13,14)15/h4-7,17H,1-3H3/b16-11-
InChIKeyTWWCNCUPMPHSKC-WJDWOHSUSA-N
XLogP3.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.56
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

N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5397262
1-(4-Methoxyphenyl)ethanone oxime
CID 5355943
(4-Methoxyphenyl)ethanone oxime
CID 96007
4-Methoxybenzophenone oxime
CID 6108781
n-Hydroxy-1,1-bis(4-methoxyphenyl)methanimine
CID 289718
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
e-4-Methoxy-benzophenonoxim
CID 5491799
N-[bis(3-methoxyphenyl)methylidene]hydroxylamine
CID 44317688
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-methoxyphenyl)phenol
CID 136961606
4-(3-fluoro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136961607

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2,2,2-trifluoro-1-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2,2-trifluoro-1-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine (CID 71668430) is (NZ)-N-[2,2,2-trifluoro-1-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2,2-trifluoro-1-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2,2-trifluoro-1-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine is COc1c(/C(=N/O)C(F)(F)F)cccc1C(C)C.
What is the InChIKey of (NZ)-N-[2,2,2-trifluoro-1-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine?
The InChIKey is TWWCNCUPMPHSKC-WJDWOHSUSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-7(2)8-5-4-6-9(10(8)18-3)11(16-17)12(13,14)15/h4-7,17H,1-3H3/b16-11-.
What are the key properties of (NZ)-N-[2,2,2-trifluoro-1-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine?
(NZ)-N-[2,2,2-trifluoro-1-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine has a molecular weight of 261.24 g/mol, XLogP of 3.56, 3 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-(2-methoxy-3-propan-2-ylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 71668430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).