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

C8H9F2NS — CID 146570595

IUPAC4-(difluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFC(F)C1NCCc2sccc21
InChIInChI=1S/C8H9F2NS/c9-8(10)7-5-2-4-12-6(5)1-3-11-7/h2,4,7-8,11H,1,3H2
InChIKeyQKFDGSWSSGOOIN-UHFFFAOYSA-N
MW189.23 g/mol
LogP2.20
Rot. Bonds1

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

4-(difluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 146570595) has the molecular formula C8H9F2NS and a molecular weight of 189.23 g/mol. Its IUPAC name is 4-(difluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID146570595
Molecular FormulaC8H9F2NS
Molecular Weight189.23 g/mol
Exact Mass189.04
IUPAC Name4-(difluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFC(F)C1NCCc2sccc21
InChIInChI=1S/C8H9F2NS/c9-8(10)7-5-2-4-12-6(5)1-3-11-7/h2,4,7-8,11H,1,3H2
InChIKeyQKFDGSWSSGOOIN-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(difluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 146570595) is 4-(difluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(difluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is FC(F)C1NCCc2sccc21.
What is the InChIKey of 4-(difluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is QKFDGSWSSGOOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NS/c9-8(10)7-5-2-4-12-6(5)1-3-11-7/h2,4,7-8,11H,1,3H2.
What are the key properties of 4-(difluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(difluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 189.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 146570595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).