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

C9H10F3NS — CID 67193648

IUPAC4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC1NCCc2sc(C(F)(F)F)cc21
InChIInChI=1S/C9H10F3NS/c1-5-6-4-8(9(10,11)12)14-7(6)2-3-13-5/h4-5,13H,2-3H2,1H3
InChIKeySGTCAGIBQGMTNI-UHFFFAOYSA-N
MW221.25 g/mol
LogP2.97
Rot. Bonds

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

4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 67193648) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID67193648
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC Name4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC1NCCc2sc(C(F)(F)F)cc21
InChIInChI=1S/C9H10F3NS/c1-5-6-4-8(9(10,11)12)14-7(6)2-3-13-5/h4-5,13H,2-3H2,1H3
InChIKeySGTCAGIBQGMTNI-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 67193648) is 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is CC1NCCc2sc(C(F)(F)F)cc21.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is SGTCAGIBQGMTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NS/c1-5-6-4-8(9(10,11)12)14-7(6)2-3-13-5/h4-5,13H,2-3H2,1H3.
What are the key properties of 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 221.25 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 67193648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).