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

C13H12FNS — CID 67357960

IUPAC4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFc1ccccc1C1NCCc2sccc21
InChIInChI=1S/C13H12FNS/c14-11-4-2-1-3-9(11)13-10-6-8-16-12(10)5-7-15-13/h1-4,6,8,13,15H,5,7H2
InChIKeyBTMQBCBKHKAVDG-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.12
Rot. Bonds1

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

4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 67357960) has the molecular formula C13H12FNS and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID67357960
Molecular FormulaC13H12FNS
Molecular Weight233.31 g/mol
Exact Mass233.07
IUPAC Name4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFc1ccccc1C1NCCc2sccc21
InChIInChI=1S/C13H12FNS/c14-11-4-2-1-3-9(11)13-10-6-8-16-12(10)5-7-15-13/h1-4,6,8,13,15H,5,7H2
InChIKeyBTMQBCBKHKAVDG-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 67357960) is 4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is Fc1ccccc1C1NCCc2sccc21.
What is the InChIKey of 4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is BTMQBCBKHKAVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNS/c14-11-4-2-1-3-9(11)13-10-6-8-16-12(10)5-7-15-13/h1-4,6,8,13,15H,5,7H2.
What are the key properties of 4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 233.31 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 67357960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).