N-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine

C12H8F3NO — CID 78146354

IUPACN-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine
SMILESON=C(c1ccc2cccccc1-2)C(F)(F)F
InChIInChI=1S/C12H8F3NO/c13-12(14,15)11(16-17)10-7-6-8-4-2-1-3-5-9(8)10/h1-7,17H
InChIKeyNDMYRYUNYRRRGK-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.53
Rot. Bonds1

About N-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine

N-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine (PubChem CID 78146354) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is N-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine
PubChem CID78146354
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC NameN-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine
SMILESON=C(c1ccc2cccccc1-2)C(F)(F)F
InChIInChI=1S/C12H8F3NO/c13-12(14,15)11(16-17)10-7-6-8-4-2-1-3-5-9(8)10/h1-7,17H
InChIKeyNDMYRYUNYRRRGK-UHFFFAOYSA-N
XLogP3.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.53
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 N-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine?
The IUPAC name of N-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine (CID 78146354) is N-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine.
What is the SMILES notation for N-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine?
The canonical SMILES for N-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine is ON=C(c1ccc2cccccc1-2)C(F)(F)F.
What is the InChIKey of N-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine?
The InChIKey is NDMYRYUNYRRRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)11(16-17)10-7-6-8-4-2-1-3-5-9(8)10/h1-7,17H.
What are the key properties of N-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine?
N-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine has a molecular weight of 239.20 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azulen-1-yl-2,2,2-trifluoroethylidene)hydroxylamine is sourced from PubChem (CID 78146354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).