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

C8H10FNS — CID 67192971

IUPAC3-fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC1NCCc2scc(F)c21
InChIInChI=1S/C8H10FNS/c1-5-8-6(9)4-11-7(8)2-3-10-5/h4-5,10H,2-3H2,1H3
InChIKeyWPRAMPLSTWJEGO-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.09
Rot. Bonds

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

3-fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 67192971) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name3-fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID67192971
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name3-fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC1NCCc2scc(F)c21
InChIInChI=1S/C8H10FNS/c1-5-8-6(9)4-11-7(8)2-3-10-5/h4-5,10H,2-3H2,1H3
InChIKeyWPRAMPLSTWJEGO-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 3-fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 67192971) is 3-fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 3-fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 3-fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is CC1NCCc2scc(F)c21.
What is the InChIKey of 3-fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is WPRAMPLSTWJEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c1-5-8-6(9)4-11-7(8)2-3-10-5/h4-5,10H,2-3H2,1H3.
What are the key properties of 3-fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
3-fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 171.24 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 67192971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).