N-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine

C9H15F3N2O — CID 104931407

IUPACN-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CC(F)(F)F)CCC1=NO
InChIInChI=1S/C9H15F3N2O/c1-2-7-5-14(6-9(10,11)12)4-3-8(7)13-15/h7,15H,2-6H2,1H3
InChIKeyRKSQVXHAZOASDJ-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.11
Rot. Bonds2

About N-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine

N-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 104931407) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine
PubChem CID104931407
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(CC(F)(F)F)CCC1=NO
InChIInChI=1S/C9H15F3N2O/c1-2-7-5-14(6-9(10,11)12)4-3-8(7)13-15/h7,15H,2-6H2,1H3
InChIKeyRKSQVXHAZOASDJ-UHFFFAOYSA-N
XLogP2.11
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.11
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-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine (CID 104931407) is N-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine is CCC1CN(CC(F)(F)F)CCC1=NO.
What is the InChIKey of N-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is RKSQVXHAZOASDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-2-7-5-14(6-9(10,11)12)4-3-8(7)13-15/h7,15H,2-6H2,1H3.
What are the key properties of N-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine?
N-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 224.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 104931407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).