2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C8H9F2NS — CID 67194438

IUPAC2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC1NCCc2sc(F)c(F)c21
InChIInChI=1S/C8H9F2NS/c1-4-6-5(2-3-11-4)12-8(10)7(6)9/h4,11H,2-3H2,1H3
InChIKeyBUTGEWXSJVWDPO-UHFFFAOYSA-N
MW189.23 g/mol
LogP2.23
Rot. Bonds

About 2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 67194438) has the molecular formula C8H9F2NS and a molecular weight of 189.23 g/mol. Its IUPAC name is 2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID67194438
Molecular FormulaC8H9F2NS
Molecular Weight189.23 g/mol
Exact Mass189.04
IUPAC Name2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC1NCCc2sc(F)c(F)c21
InChIInChI=1S/C8H9F2NS/c1-4-6-5(2-3-11-4)12-8(10)7(6)9/h4,11H,2-3H2,1H3
InChIKeyBUTGEWXSJVWDPO-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 67194438) is 2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is CC1NCCc2sc(F)c(F)c21.
What is the InChIKey of 2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is BUTGEWXSJVWDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NS/c1-4-6-5(2-3-11-4)12-8(10)7(6)9/h4,11H,2-3H2,1H3.
What are the key properties of 2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 189.23 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 67194438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).