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

C10H11F3N+ — CID 173058275

IUPAC7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium
SMILESFC(F)(F)C1=CC2=[NH+]CCCC2C=C1
InChIInChI=1S/C10H10F3N/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8/h3-4,6-7H,1-2,5H2/p+1
InChIKeyGPUXRQWTBRJRDB-UHFFFAOYSA-O
MW202.20 g/mol
LogP0.98
Rot. Bonds

About 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium

7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium (PubChem CID 173058275) has the molecular formula C10H11F3N+ and a molecular weight of 202.20 g/mol. Its IUPAC name is 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium.

Molecular Properties

Compound Name7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium
PubChem CID173058275
Molecular FormulaC10H11F3N+
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium
SMILESFC(F)(F)C1=CC2=[NH+]CCCC2C=C1
InChIInChI=1S/C10H10F3N/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8/h3-4,6-7H,1-2,5H2/p+1
InChIKeyGPUXRQWTBRJRDB-UHFFFAOYSA-O
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(Trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium
CID 71252704
6-[5-(2,2,2-Trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine
CID 142832138
2-(Trifluoromethyl)-2,3,4,4a-tetrahydroquinoline
CID 71252705
7-(Trifluoromethyl)-2,3,4,4a-tetrahydroquinoline
CID 173058276
3-Propyl-2,3-dihydroquinolin-1-ium
CID 163828726
2,3,4,4a-Tetrahydroquinolin-1-ium
CID 172996002
6-Chloro-2,3,4,4a-tetrahydroquinolin-1-ium
CID 173044930
6-Methyl-2,3,4,4a-tetrahydroquinolin-1-ium
CID 173058285
2,3,4,4a,5,6-Hexahydroquinolin-1-ium
CID 173072262

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium?
The IUPAC name of 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium (CID 173058275) is 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium.
What is the SMILES notation for 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium?
The canonical SMILES for 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium is FC(F)(F)C1=CC2=[NH+]CCCC2C=C1.
What is the InChIKey of 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium?
The InChIKey is GPUXRQWTBRJRDB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10F3N/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8/h3-4,6-7H,1-2,5H2/p+1.
What are the key properties of 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium?
7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium has a molecular weight of 202.20 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium is sourced from PubChem (CID 173058275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).