5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C21H18F3NOS — CID 2813869

IUPAC5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFC(F)(F)Oc1ccc(C2c3ccsc3CCN2Cc2ccccc2)cc1
InChIInChI=1S/C21H18F3NOS/c22-21(23,24)26-17-8-6-16(7-9-17)20-18-11-13-27-19(18)10-12-25(20)14-15-4-2-1-3-5-15/h1-9,11,13,20H,10,12,14H2
InChIKeyYXZYTPILCOZOFZ-UHFFFAOYSA-N
MW389.44 g/mol
LogP5.79
Rot. Bonds4

About 5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 2813869) has the molecular formula C21H18F3NOS and a molecular weight of 389.44 g/mol. Its IUPAC name is 5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID2813869
Molecular FormulaC21H18F3NOS
Molecular Weight389.44 g/mol
Exact Mass389.11
IUPAC Name5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESFC(F)(F)Oc1ccc(C2c3ccsc3CCN2Cc2ccccc2)cc1
InChIInChI=1S/C21H18F3NOS/c22-21(23,24)26-17-8-6-16(7-9-17)20-18-11-13-27-19(18)10-12-25(20)14-15-4-2-1-3-5-15/h1-9,11,13,20H,10,12,14H2
InChIKeyYXZYTPILCOZOFZ-UHFFFAOYSA-N
XLogP5.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.44
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-Methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl]ethan-1-one
CID 2739545
1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2,2-dimethylpropan-1-one
CID 2739546
Dimethyl-(1-{2-[2-(4-trifluoromethyl-phenoxymethyl)-benzo[b]thiophen-3-yl]-ethyl}-piperidin-4-yl)-amine
CID 44362412
4-(4-methoxyphenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54586591
1'-Benzyl-1-(4-methoxyphenyl)spiro[6,7-dihydrothieno[3,4-c]pyran-4,4'-piperidine]
CID 56651873
CID 86574500
CID 86574500
1'-[(4-Phenoxyphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 145991946
N-(tert-butyl)-4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxamide
CID 2741934
4-(4-Methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 2736769
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-methoxyphenyl)methyl)-, hydrochloride (1:1)
CID 3041274
5-[(3-Fluorophenyl)sulfonyl]-4-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 2815281
3-ethyl-6-[(3-methoxyphenyl)methyl]-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 16028489

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 2813869) is 5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is FC(F)(F)Oc1ccc(C2c3ccsc3CCN2Cc2ccccc2)cc1.
What is the InChIKey of 5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is YXZYTPILCOZOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NOS/c22-21(23,24)26-17-8-6-16(7-9-17)20-18-11-13-27-19(18)10-12-25(20)14-15-4-2-1-3-5-15/h1-9,11,13,20H,10,12,14H2.
What are the key properties of 5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 389.44 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 2813869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).