7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine

C16H14F3NS — CID 59820001

IUPAC7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine
SMILESFC(F)(F)c1ccc(CCC2=NCCc3ccsc32)cc1
InChIInChI=1S/C16H14F3NS/c17-16(18,19)13-4-1-11(2-5-13)3-6-14-15-12(7-9-20-14)8-10-21-15/h1-2,4-5,8,10H,3,6-7,9H2
InChIKeyJNEHBGAOSQLLNZ-UHFFFAOYSA-N
MW309.36 g/mol
LogP4.74
Rot. Bonds3

About 7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine

7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine (PubChem CID 59820001) has the molecular formula C16H14F3NS and a molecular weight of 309.36 g/mol. Its IUPAC name is 7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine
PubChem CID59820001
Molecular FormulaC16H14F3NS
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine
SMILESFC(F)(F)c1ccc(CCC2=NCCc3ccsc32)cc1
InChIInChI=1S/C16H14F3NS/c17-16(18,19)13-4-1-11(2-5-13)3-6-14-15-12(7-9-20-14)8-10-21-15/h1-2,4-5,8,10H,3,6-7,9H2
InChIKeyJNEHBGAOSQLLNZ-UHFFFAOYSA-N
XLogP4.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine?
The IUPAC name of 7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine (CID 59820001) is 7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine.
What is the SMILES notation for 7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine?
The canonical SMILES for 7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine is FC(F)(F)c1ccc(CCC2=NCCc3ccsc32)cc1.
What is the InChIKey of 7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine?
The InChIKey is JNEHBGAOSQLLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NS/c17-16(18,19)13-4-1-11(2-5-13)3-6-14-15-12(7-9-20-14)8-10-21-15/h1-2,4-5,8,10H,3,6-7,9H2.
What are the key properties of 7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine?
7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine has a molecular weight of 309.36 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(trifluoromethyl)phenyl]ethyl]-4,5-dihydrothieno[2,3-c]pyridine is sourced from PubChem (CID 59820001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).