7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole

C8H8F3NS — CID 157304728

IUPAC7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole
SMILESFC(F)(F)C1=CCSC2=C1NCC2
InChIInChI=1S/C8H8F3NS/c9-8(10,11)5-2-4-13-6-1-3-12-7(5)6/h2,12H,1,3-4H2
InChIKeyBCHZGFHOWROSQI-UHFFFAOYSA-N
MW207.22 g/mol
LogP2.43
Rot. Bonds

About 7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole

7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole (PubChem CID 157304728) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole
PubChem CID157304728
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC Name7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole
SMILESFC(F)(F)C1=CCSC2=C1NCC2
InChIInChI=1S/C8H8F3NS/c9-8(10,11)5-2-4-13-6-1-3-12-7(5)6/h2,12H,1,3-4H2
InChIKeyBCHZGFHOWROSQI-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1,1-Difluoroethyl)-3-(methylsulfanylmethyl)-1,2-dihydropyridine
CID 122429864
3-[(1Z,3E)-3-ethylsulfanyl-2-(trifluoromethyl)penta-1,3-dienyl]-2,5-dihydro-1H-pyrrole
CID 143270831
5-(3,5-Difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole
CID 163782421
N-ethyl-6,7a-dihydro-5H-thieno[2,3-b]thiopyran-4-amine
CID 154479061

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole?
The IUPAC name of 7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole (CID 157304728) is 7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole.
What is the SMILES notation for 7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole?
The canonical SMILES for 7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole is FC(F)(F)C1=CCSC2=C1NCC2.
What is the InChIKey of 7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole?
The InChIKey is BCHZGFHOWROSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS/c9-8(10,11)5-2-4-13-6-1-3-12-7(5)6/h2,12H,1,3-4H2.
What are the key properties of 7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole?
7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole has a molecular weight of 207.22 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1,2,3,5-tetrahydrothiopyrano[3,2-b]pyrrole is sourced from PubChem (CID 157304728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).