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

C13H11F2NS — CID 138556100

IUPAC2-fluoro-4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFc1cc2c(s1)CCNC2c1ccccc1F
InChIInChI=1S/C13H11F2NS/c14-10-4-2-1-3-8(10)13-9-7-12(15)17-11(9)5-6-16-13/h1-4,7,13,16H,5-6H2
InChIKeyGMSUXDSXXTVKLL-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.26
Rot. Bonds1

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

2-fluoro-4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 138556100) has the molecular formula C13H11F2NS and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-fluoro-4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-fluoro-4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID138556100
Molecular FormulaC13H11F2NS
Molecular Weight251.30 g/mol
Exact Mass251.06
IUPAC Name2-fluoro-4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFc1cc2c(s1)CCNC2c1ccccc1F
InChIInChI=1S/C13H11F2NS/c14-10-4-2-1-3-8(10)13-9-7-12(15)17-11(9)5-6-16-13/h1-4,7,13,16H,5-6H2
InChIKeyGMSUXDSXXTVKLL-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 2-fluoro-4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 138556100) is 2-fluoro-4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2-fluoro-4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 2-fluoro-4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is Fc1cc2c(s1)CCNC2c1ccccc1F.
What is the InChIKey of 2-fluoro-4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is GMSUXDSXXTVKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NS/c14-10-4-2-1-3-8(10)13-9-7-12(15)17-11(9)5-6-16-13/h1-4,7,13,16H,5-6H2.
What are the key properties of 2-fluoro-4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
2-fluoro-4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 251.30 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 138556100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).