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

C24H38F3NO2 — CID 18674530

IUPAC(NZ)-N-[2,2,2-trifluoro-1-(4-hexadecoxyphenyl)ethylidene]hydroxylamine
SMILESCCCCCCCCCCCCCCCCOc1ccc(/C(=N/O)C(F)(F)F)cc1
InChIInChI=1S/C24H38F3NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-22-18-16-21(17-19-22)23(28-29)24(25,26)27/h16-19,29H,2-15,20H2,1H3/b28-23-
InChIKeyXPMYJJSCQFFUMQ-NFFVHWSESA-N
MW429.57 g/mol
LogP8.29
Rot. Bonds17

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

(NZ)-N-[2,2,2-trifluoro-1-(4-hexadecoxyphenyl)ethylidene]hydroxylamine (PubChem CID 18674530) has the molecular formula C24H38F3NO2 and a molecular weight of 429.57 g/mol. Its IUPAC name is (NZ)-N-[2,2,2-trifluoro-1-(4-hexadecoxyphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2,2-trifluoro-1-(4-hexadecoxyphenyl)ethylidene]hydroxylamine
PubChem CID18674530
Molecular FormulaC24H38F3NO2
Molecular Weight429.57 g/mol
Exact Mass429.29
IUPAC Name(NZ)-N-[2,2,2-trifluoro-1-(4-hexadecoxyphenyl)ethylidene]hydroxylamine
SMILESCCCCCCCCCCCCCCCCOc1ccc(/C(=N/O)C(F)(F)F)cc1
InChIInChI=1S/C24H38F3NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-22-18-16-21(17-19-22)23(28-29)24(25,26)27/h16-19,29H,2-15,20H2,1H3/b28-23-
InChIKeyXPMYJJSCQFFUMQ-NFFVHWSESA-N
XLogP8.29
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-hexadecoxyphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2,2-trifluoro-1-(4-hexadecoxyphenyl)ethylidene]hydroxylamine (CID 18674530) is (NZ)-N-[2,2,2-trifluoro-1-(4-hexadecoxyphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2,2-trifluoro-1-(4-hexadecoxyphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2,2-trifluoro-1-(4-hexadecoxyphenyl)ethylidene]hydroxylamine is CCCCCCCCCCCCCCCCOc1ccc(/C(=N/O)C(F)(F)F)cc1.
What is the InChIKey of (NZ)-N-[2,2,2-trifluoro-1-(4-hexadecoxyphenyl)ethylidene]hydroxylamine?
The InChIKey is XPMYJJSCQFFUMQ-NFFVHWSESA-N. The full InChI is InChI=1S/C24H38F3NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-22-18-16-21(17-19-22)23(28-29)24(25,26)27/h16-19,29H,2-15,20H2,1H3/b28-23-.
What are the key properties of (NZ)-N-[2,2,2-trifluoro-1-(4-hexadecoxyphenyl)ethylidene]hydroxylamine?
(NZ)-N-[2,2,2-trifluoro-1-(4-hexadecoxyphenyl)ethylidene]hydroxylamine has a molecular weight of 429.57 g/mol, XLogP of 8.29, 17 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-(4-hexadecoxyphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 18674530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).