N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide

C7H12F3IN2 — CID 18428642

IUPACN-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
SMILESFC(F)(F)CNC1=NCCCC1.I
InChIInChI=1S/C7H11F3N2.HI/c8-7(9,10)5-12-6-3-1-2-4-11-6;/h1-5H2,(H,11,12);1H
InChIKeyIENBYIKKBSCPGQ-UHFFFAOYSA-N
MW308.09 g/mol
LogP2.34
Rot. Bonds1

About N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide

N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide (PubChem CID 18428642) has the molecular formula C7H12F3IN2 and a molecular weight of 308.09 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
PubChem CID18428642
Molecular FormulaC7H12F3IN2
Molecular Weight308.09 g/mol
Exact Mass308.00
IUPAC NameN-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
SMILESFC(F)(F)CNC1=NCCCC1.I
InChIInChI=1S/C7H11F3N2.HI/c8-7(9,10)5-12-6-3-1-2-4-11-6;/h1-5H2,(H,11,12);1H
InChIKeyIENBYIKKBSCPGQ-UHFFFAOYSA-N
XLogP2.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide (CID 18428642) is N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide is FC(F)(F)CNC1=NCCCC1.I.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide?
The InChIKey is IENBYIKKBSCPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2.HI/c8-7(9,10)5-12-6-3-1-2-4-11-6;/h1-5H2,(H,11,12);1H.
What are the key properties of N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide?
N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide has a molecular weight of 308.09 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide is sourced from PubChem (CID 18428642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).