N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

C12H12F3NO2 — CID 77067727

IUPACN-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESON=C1CCCc2c(OCC(F)(F)F)cccc21
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)7-18-11-6-2-3-8-9(11)4-1-5-10(8)16-17/h2-3,6,17H,1,4-5,7H2
InChIKeyRUTMRYAFSGVAMJ-UHFFFAOYSA-N
MW259.23 g/mol
LogP3.14
Rot. Bonds2

About N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 77067727) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID77067727
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC NameN-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESON=C1CCCc2c(OCC(F)(F)F)cccc21
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)7-18-11-6-2-3-8-9(11)4-1-5-10(8)16-17/h2-3,6,17H,1,4-5,7H2
InChIKeyRUTMRYAFSGVAMJ-UHFFFAOYSA-N
XLogP3.14
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 77067727) is N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is ON=C1CCCc2c(OCC(F)(F)F)cccc21.
What is the InChIKey of N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is RUTMRYAFSGVAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)7-18-11-6-2-3-8-9(11)4-1-5-10(8)16-17/h2-3,6,17H,1,4-5,7H2.
What are the key properties of N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 259.23 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 77067727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).