N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine

C9H17F3N2O — CID 63826418

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
SMILESFC(F)(F)COCCNC1CCCNC1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)7-15-5-4-14-8-2-1-3-13-6-8/h8,13-14H,1-7H2
InChIKeyKAVGKFWHYOKXNF-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.91
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine (PubChem CID 63826418) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
PubChem CID63826418
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
SMILESFC(F)(F)COCCNC1CCCNC1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)7-15-5-4-14-8-2-1-3-13-6-8/h8,13-14H,1-7H2
InChIKeyKAVGKFWHYOKXNF-UHFFFAOYSA-N
XLogP0.91
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine (CID 63826418) is N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine is FC(F)(F)COCCNC1CCCNC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine?
The InChIKey is KAVGKFWHYOKXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)7-15-5-4-14-8-2-1-3-13-6-8/h8,13-14H,1-7H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine has a molecular weight of 226.24 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine is sourced from PubChem (CID 63826418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).