N-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine

C9H13F3N2O — CID 18919665

IUPACN-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine
SMILESON=C1CC2CCC(C1)N2CC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)5-14-7-1-2-8(14)4-6(3-7)13-15/h7-8,15H,1-5H2
InChIKeyVACXJNNZSZCSDC-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.01
Rot. Bonds1

About N-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine

N-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine (PubChem CID 18919665) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine
PubChem CID18919665
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine
SMILESON=C1CC2CCC(C1)N2CC(F)(F)F
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)5-14-7-1-2-8(14)4-6(3-7)13-15/h7-8,15H,1-5H2
InChIKeyVACXJNNZSZCSDC-UHFFFAOYSA-N
XLogP2.01
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.01
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-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine?
The IUPAC name of N-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine (CID 18919665) is N-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine?
The canonical SMILES for N-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine is ON=C1CC2CCC(C1)N2CC(F)(F)F.
What is the InChIKey of N-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine?
The InChIKey is VACXJNNZSZCSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c10-9(11,12)5-14-7-1-2-8(14)4-6(3-7)13-15/h7-8,15H,1-5H2.
What are the key properties of N-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine?
N-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine has a molecular weight of 222.21 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine is sourced from PubChem (CID 18919665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).