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

C8H8F3NS — CID 59663093

IUPAC4-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFC(F)(F)C1NCCc2sccc21
InChIInChI=1S/C8H8F3NS/c9-8(10,11)7-5-2-4-13-6(5)1-3-12-7/h2,4,7,12H,1,3H2
InChIKeyDKZHZSVQWAVEAE-UHFFFAOYSA-N
MW207.22 g/mol
LogP2.50
Rot. Bonds

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

4-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 59663093) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is 4-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID59663093
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC Name4-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFC(F)(F)C1NCCc2sccc21
InChIInChI=1S/C8H8F3NS/c9-8(10,11)7-5-2-4-13-6(5)1-3-12-7/h2,4,7,12H,1,3H2
InChIKeyDKZHZSVQWAVEAE-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 59663093) is 4-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is FC(F)(F)C1NCCc2sccc21.
What is the InChIKey of 4-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is DKZHZSVQWAVEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS/c9-8(10,11)7-5-2-4-13-6(5)1-3-12-7/h2,4,7,12H,1,3H2.
What are the key properties of 4-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 207.22 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 59663093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).