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

C14H12F3NS — CID 2739390

IUPAC4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFC(F)(F)c1ccc(C2NCCc3sccc32)cc1
InChIInChI=1S/C14H12F3NS/c15-14(16,17)10-3-1-9(2-4-10)13-11-6-8-19-12(11)5-7-18-13/h1-4,6,8,13,18H,5,7H2
InChIKeyKIPRTQNWIXZVKX-UHFFFAOYSA-N
MW283.32 g/mol
LogP4.00
Rot. Bonds1

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

4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 2739390) has the molecular formula C14H12F3NS and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID2739390
Molecular FormulaC14H12F3NS
Molecular Weight283.32 g/mol
Exact Mass283.06
IUPAC Name4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFC(F)(F)c1ccc(C2NCCc3sccc32)cc1
InChIInChI=1S/C14H12F3NS/c15-14(16,17)10-3-1-9(2-4-10)13-11-6-8-19-12(11)5-7-18-13/h1-4,6,8,13,18H,5,7H2
InChIKeyKIPRTQNWIXZVKX-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 2739390) is 4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is FC(F)(F)c1ccc(C2NCCc3sccc32)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is KIPRTQNWIXZVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NS/c15-14(16,17)10-3-1-9(2-4-10)13-11-6-8-19-12(11)5-7-18-13/h1-4,6,8,13,18H,5,7H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 283.32 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 2739390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).