8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium

C15H9F3NS+ — CID 59087660

IUPAC8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium
SMILESFC(F)(F)c1ccc2[n+](c1)Cc1c-2sc2ccccc12
InChIInChI=1S/C15H9F3NS/c16-15(17,18)9-5-6-12-14-11(8-19(12)7-9)10-3-1-2-4-13(10)20-14/h1-7H,8H2/q+1
InChIKeyYXVZJEHRDGLDSQ-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.24
Rot. Bonds

About 8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium

8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium (PubChem CID 59087660) has the molecular formula C15H9F3NS+ and a molecular weight of 292.31 g/mol. Its IUPAC name is 8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium.

Molecular Properties

Compound Name8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium
PubChem CID59087660
Molecular FormulaC15H9F3NS+
Molecular Weight292.31 g/mol
Exact Mass292.04
IUPAC Name8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium
SMILESFC(F)(F)c1ccc2[n+](c1)Cc1c-2sc2ccccc12
InChIInChI=1S/C15H9F3NS/c16-15(17,18)9-5-6-12-14-11(8-19(12)7-9)10-3-1-2-4-13(10)20-14/h1-7H,8H2/q+1
InChIKeyYXVZJEHRDGLDSQ-UHFFFAOYSA-N
XLogP4.24
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
(-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 46884063
(-)-(R)-2-(3-(1-(5-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11493620
(-)-(R)-N,N-dimethyl-2-(3-(1-(3-methylpyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11500781
(-)-(R)-2-(1-(2-(2-(pyrrolidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 11508317
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11515125
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11551351
Benzo[B]thiophene-2-ethanamine, N,N-dimethyl-3-[1-(2-pyridinyl)ethyl]-
CID 11580426

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium?
The IUPAC name of 8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium (CID 59087660) is 8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium.
What is the SMILES notation for 8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium?
The canonical SMILES for 8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium is FC(F)(F)c1ccc2[n+](c1)Cc1c-2sc2ccccc12.
What is the InChIKey of 8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium?
The InChIKey is YXVZJEHRDGLDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3NS/c16-15(17,18)9-5-6-12-14-11(8-19(12)7-9)10-3-1-2-4-13(10)20-14/h1-7H,8H2/q+1.
What are the key properties of 8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium?
8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium has a molecular weight of 292.31 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-11H-[1]benzothiolo[2,3-a]indolizin-10-ium is sourced from PubChem (CID 59087660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).