(NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine

C11H12F3NO — CID 18674522

IUPAC(NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine
SMILESCc1cc(C)c(/C(=N/O)C(F)(F)F)c(C)c1
InChIInChI=1S/C11H12F3NO/c1-6-4-7(2)9(8(3)5-6)10(15-16)11(12,13)14/h4-5,16H,1-3H3/b15-10-
InChIKeyPDYUCXOQBNSGKN-GDNBJRDFSA-N
MW231.22 g/mol
LogP3.35
Rot. Bonds1

About (NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine

(NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine (PubChem CID 18674522) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine
PubChem CID18674522
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine
SMILESCc1cc(C)c(/C(=N/O)C(F)(F)F)c(C)c1
InChIInChI=1S/C11H12F3NO/c1-6-4-7(2)9(8(3)5-6)10(15-16)11(12,13)14/h4-5,16H,1-3H3/b15-10-
InChIKeyPDYUCXOQBNSGKN-GDNBJRDFSA-N
XLogP3.35
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine (CID 18674522) is (NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine is Cc1cc(C)c(/C(=N/O)C(F)(F)F)c(C)c1.
What is the InChIKey of (NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine?
The InChIKey is PDYUCXOQBNSGKN-GDNBJRDFSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-6-4-7(2)9(8(3)5-6)10(15-16)11(12,13)14/h4-5,16H,1-3H3/b15-10-.
What are the key properties of (NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine?
(NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine has a molecular weight of 231.22 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 18674522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).