N-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine

C7H11F3N2O — CID 24690667

IUPACN-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)5-12-3-1-6(11-13)2-4-12/h13H,1-5H2
InChIKeyBGNHLHDSOXTFNV-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.47
Rot. Bonds1

About N-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine

N-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 24690667) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine
PubChem CID24690667
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)5-12-3-1-6(11-13)2-4-12/h13H,1-5H2
InChIKeyBGNHLHDSOXTFNV-UHFFFAOYSA-N
XLogP1.47
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.47
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-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine (CID 24690667) is N-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine is ON=C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is BGNHLHDSOXTFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)5-12-3-1-6(11-13)2-4-12/h13H,1-5H2.
What are the key properties of N-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine?
N-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 196.17 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 24690667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).