(NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine

C17H14F3NO — CID 59364072

IUPAC(NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine
SMILESCc1ccc(C(/C=C(/c2ccccc2)C(F)(F)F)=N\O)cc1
InChIInChI=1S/C17H14F3NO/c1-12-7-9-14(10-8-12)16(21-22)11-15(17(18,19)20)13-5-3-2-4-6-13/h2-11,22H,1H3/b15-11-,21-16-
InChIKeyOUDMETFPTYOODX-PCFUVJJASA-N
MW305.30 g/mol
LogP4.82
Rot. Bonds3

About (NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine

(NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine (PubChem CID 59364072) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is (NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine
PubChem CID59364072
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name(NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine
SMILESCc1ccc(C(/C=C(/c2ccccc2)C(F)(F)F)=N\O)cc1
InChIInChI=1S/C17H14F3NO/c1-12-7-9-14(10-8-12)16(21-22)11-15(17(18,19)20)13-5-3-2-4-6-13/h2-11,22H,1H3/b15-11-,21-16-
InChIKeyOUDMETFPTYOODX-PCFUVJJASA-N
XLogP4.82
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.82
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-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine (CID 59364072) is (NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine is Cc1ccc(C(/C=C(/c2ccccc2)C(F)(F)F)=N\O)cc1.
What is the InChIKey of (NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine?
The InChIKey is OUDMETFPTYOODX-PCFUVJJASA-N. The full InChI is InChI=1S/C17H14F3NO/c1-12-7-9-14(10-8-12)16(21-22)11-15(17(18,19)20)13-5-3-2-4-6-13/h2-11,22H,1H3/b15-11-,21-16-.
What are the key properties of (NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine?
(NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine has a molecular weight of 305.30 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine is sourced from PubChem (CID 59364072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).