2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine

C17H16F3NS — CID 59820012

IUPAC2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine
SMILESCc1cc2c(s1)CCN=C2CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NS/c1-11-10-14-15(21-9-8-16(14)22-11)7-4-12-2-5-13(6-3-12)17(18,19)20/h2-3,5-6,10H,4,7-9H2,1H3
InChIKeyCSBWATDUCWOMSG-UHFFFAOYSA-N
MW323.38 g/mol
LogP5.05
Rot. Bonds3

About 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine

2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine (PubChem CID 59820012) has the molecular formula C17H16F3NS and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine
PubChem CID59820012
Molecular FormulaC17H16F3NS
Molecular Weight323.38 g/mol
Exact Mass323.10
IUPAC Name2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine
SMILESCc1cc2c(s1)CCN=C2CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NS/c1-11-10-14-15(21-9-8-16(14)22-11)7-4-12-2-5-13(6-3-12)17(18,19)20/h2-3,5-6,10H,4,7-9H2,1H3
InChIKeyCSBWATDUCWOMSG-UHFFFAOYSA-N
XLogP5.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.38
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine?
The IUPAC name of 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine (CID 59820012) is 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine?
The canonical SMILES for 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine is Cc1cc2c(s1)CCN=C2CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine?
The InChIKey is CSBWATDUCWOMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NS/c1-11-10-14-15(21-9-8-16(14)22-11)7-4-12-2-5-13(6-3-12)17(18,19)20/h2-3,5-6,10H,4,7-9H2,1H3.
What are the key properties of 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine?
2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine has a molecular weight of 323.38 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridine is sourced from PubChem (CID 59820012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).