5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C14H14FNS — CID 3041336

IUPAC5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFc1ccc(CN2CCc3sccc3C2)cc1
InChIInChI=1S/C14H14FNS/c15-13-3-1-11(2-4-13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
InChIKeyQZVLQUBGLKOJIR-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.45
Rot. Bonds2

About 5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 3041336) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID3041336
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFc1ccc(CN2CCc3sccc3C2)cc1
InChIInChI=1S/C14H14FNS/c15-13-3-1-11(2-4-13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
InChIKeyQZVLQUBGLKOJIR-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 3041336) is 5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is Fc1ccc(CN2CCc3sccc3C2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is QZVLQUBGLKOJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c15-13-3-1-11(2-4-13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 247.34 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 3041336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).