N-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine

C10H8F3NO2 — CID 140873563

IUPACN-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)16-7-2-3-8-6(5-7)1-4-9(8)14-15/h2-3,5,15H,1,4H2
InChIKeyNFMNSHOLKOFPIJ-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.71
Rot. Bonds1

About N-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine

N-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 140873563) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is N-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID140873563
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC NameN-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)16-7-2-3-8-6(5-7)1-4-9(8)14-15/h2-3,5,15H,1,4H2
InChIKeyNFMNSHOLKOFPIJ-UHFFFAOYSA-N
XLogP2.71
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.71
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-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 140873563) is N-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine is ON=C1CCc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of N-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is NFMNSHOLKOFPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)16-7-2-3-8-6(5-7)1-4-9(8)14-15/h2-3,5,15H,1,4H2.
What are the key properties of N-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 231.17 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 140873563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).