5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C17H16F5NS — CID 629149

IUPAC5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCCC1c2ccsc2CCN1Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H16F5NS/c1-2-3-11-9-5-7-24-12(9)4-6-23(11)8-10-13(18)15(20)17(22)16(21)14(10)19/h5,7,11H,2-4,6,8H2,1H3
InChIKeyZNFPAIQQQPDONF-UHFFFAOYSA-N
MW361.38 g/mol
LogP5.34
Rot. Bonds4

About 5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 629149) has the molecular formula C17H16F5NS and a molecular weight of 361.38 g/mol. Its IUPAC name is 5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID629149
Molecular FormulaC17H16F5NS
Molecular Weight361.38 g/mol
Exact Mass361.09
IUPAC Name5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCCC1c2ccsc2CCN1Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H16F5NS/c1-2-3-11-9-5-7-24-12(9)4-6-23(11)8-10-13(18)15(20)17(22)16(21)14(10)19/h5,7,11H,2-4,6,8H2,1H3
InChIKeyZNFPAIQQQPDONF-UHFFFAOYSA-N
XLogP5.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

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Related Compounds

Tenocyclidine
CID 62751
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
1-(1-(5-(2'-Fluoroethyl)-2-thienyl)-cyclohexyl)piperidine
CID 192646
1-(1-Benzothien-3-ylmethyl)piperidine
CID 832487
5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041293
7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridine
CID 14548167
2-(4-(propan-2-yl)phenyl)-2-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)ethan-1-amine
CID 43180384
4-(4-fluorophenyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 42773975
3-ethyl-6-[(2-fluorophenyl)methyl]-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 16028485
4-(4-fluorophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54581760
2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54584689

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 629149) is 5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CCCC1c2ccsc2CCN1Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is ZNFPAIQQQPDONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F5NS/c1-2-3-11-9-5-7-24-12(9)4-6-23(11)8-10-13(18)15(20)17(22)16(21)14(10)19/h5,7,11H,2-4,6,8H2,1H3.
What are the key properties of 5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 361.38 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 629149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).