4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine

C14H10F3NOS — CID 2739834

IUPAC4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine
SMILESFC(F)(F)Oc1ccc(C2=NCCc3sccc32)cc1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)19-10-3-1-9(2-4-10)13-11-6-8-20-12(11)5-7-18-13/h1-4,6,8H,5,7H2
InChIKeyCPODZMYXMWDERY-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.04
Rot. Bonds2

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

4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine (PubChem CID 2739834) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is 4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine
PubChem CID2739834
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine
SMILESFC(F)(F)Oc1ccc(C2=NCCc3sccc32)cc1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)19-10-3-1-9(2-4-10)13-11-6-8-20-12(11)5-7-18-13/h1-4,6,8H,5,7H2
InChIKeyCPODZMYXMWDERY-UHFFFAOYSA-N
XLogP4.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine?
The IUPAC name of 4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine (CID 2739834) is 4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine is FC(F)(F)Oc1ccc(C2=NCCc3sccc32)cc1.
What is the InChIKey of 4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine?
The InChIKey is CPODZMYXMWDERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-14(16,17)19-10-3-1-9(2-4-10)13-11-6-8-20-12(11)5-7-18-13/h1-4,6,8H,5,7H2.
What are the key properties of 4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine?
4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine has a molecular weight of 297.30 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine is sourced from PubChem (CID 2739834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).