(NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine

C10H10F3NO — CID 15264823

IUPAC(NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)C(F)(F)F)cc1C
InChIInChI=1S/C10H10F3NO/c1-6-3-4-8(5-7(6)2)9(14-15)10(11,12)13/h3-5,15H,1-2H3/b14-9-
InChIKeyLTAUTOKCMFROLS-ZROIWOOFSA-N
MW217.19 g/mol
LogP3.04
Rot. Bonds1

About (NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine

(NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine (PubChem CID 15264823) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is (NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine
PubChem CID15264823
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name(NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine
SMILESCc1ccc(/C(=N/O)C(F)(F)F)cc1C
InChIInChI=1S/C10H10F3NO/c1-6-3-4-8(5-7(6)2)9(14-15)10(11,12)13/h3-5,15H,1-2H3/b14-9-
InChIKeyLTAUTOKCMFROLS-ZROIWOOFSA-N
XLogP3.04
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 53.04
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-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine (CID 15264823) is (NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine is Cc1ccc(/C(=N/O)C(F)(F)F)cc1C.
What is the InChIKey of (NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
The InChIKey is LTAUTOKCMFROLS-ZROIWOOFSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-6-3-4-8(5-7(6)2)9(14-15)10(11,12)13/h3-5,15H,1-2H3/b14-9-.
What are the key properties of (NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
(NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine has a molecular weight of 217.19 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine is sourced from PubChem (CID 15264823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).