2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium

C10H11F3N+ — CID 71252704

IUPAC2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium
SMILESFC(F)(F)C1CCC2C=CC=CC2=[NH+]1
InChIInChI=1S/C10H10F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-4,7,9H,5-6H2/p+1
InChIKeyCFXAHTFSFMPIFK-UHFFFAOYSA-O
MW202.20 g/mol
LogP0.97
Rot. Bonds

About 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium

2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium (PubChem CID 71252704) has the molecular formula C10H11F3N+ and a molecular weight of 202.20 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium.

Molecular Properties

Compound Name2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium
PubChem CID71252704
Molecular FormulaC10H11F3N+
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium
SMILESFC(F)(F)C1CCC2C=CC=CC2=[NH+]1
InChIInChI=1S/C10H10F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-4,7,9H,5-6H2/p+1
InChIKeyCFXAHTFSFMPIFK-UHFFFAOYSA-O
XLogP0.97
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium?
The IUPAC name of 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium (CID 71252704) is 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium.
What is the SMILES notation for 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium?
The canonical SMILES for 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium is FC(F)(F)C1CCC2C=CC=CC2=[NH+]1.
What is the InChIKey of 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium?
The InChIKey is CFXAHTFSFMPIFK-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-4,7,9H,5-6H2/p+1.
What are the key properties of 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium?
2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium has a molecular weight of 202.20 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium is sourced from PubChem (CID 71252704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).