3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C9H10F3NS — CID 141196504

IUPAC3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCc1c(C(F)(F)F)sc2c1CNCC2
InChIInChI=1S/C9H10F3NS/c1-5-6-4-13-3-2-7(6)14-8(5)9(10,11)12/h13H,2-4H2,1H3
InChIKeyWFFORIFHBLZBFZ-UHFFFAOYSA-N
MW221.25 g/mol
LogP2.72
Rot. Bonds

About 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 141196504) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID141196504
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC Name3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCc1c(C(F)(F)F)sc2c1CNCC2
InChIInChI=1S/C9H10F3NS/c1-5-6-4-13-3-2-7(6)14-8(5)9(10,11)12/h13H,2-4H2,1H3
InChIKeyWFFORIFHBLZBFZ-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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CID 67192971
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CID 68644013
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 141196504) is 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is Cc1c(C(F)(F)F)sc2c1CNCC2.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is WFFORIFHBLZBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NS/c1-5-6-4-13-3-2-7(6)14-8(5)9(10,11)12/h13H,2-4H2,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 221.25 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 141196504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).