2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C18H19ClFNOS — CID 169138674

IUPAC2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESFc1cccc(CN2CCC3(CC2)OCCc2cc(Cl)sc23)c1
InChIInChI=1S/C18H19ClFNOS/c19-16-11-14-4-9-22-18(17(14)23-16)5-7-21(8-6-18)12-13-2-1-3-15(20)10-13/h1-3,10-11H,4-9,12H2
InChIKeyJNLQVSNJZLMZNA-UHFFFAOYSA-N
MW351.87 g/mol
LogP4.60
Rot. Bonds2

About 2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 169138674) has the molecular formula C18H19ClFNOS and a molecular weight of 351.87 g/mol. Its IUPAC name is 2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID169138674
Molecular FormulaC18H19ClFNOS
Molecular Weight351.87 g/mol
Exact Mass351.09
IUPAC Name2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESFc1cccc(CN2CCC3(CC2)OCCc2cc(Cl)sc23)c1
InChIInChI=1S/C18H19ClFNOS/c19-16-11-14-4-9-22-18(17(14)23-16)5-7-21(8-6-18)12-13-2-1-3-15(20)10-13/h1-3,10-11H,4-9,12H2
InChIKeyJNLQVSNJZLMZNA-UHFFFAOYSA-N
XLogP4.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 169138674) is 2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is Fc1cccc(CN2CCC3(CC2)OCCc2cc(Cl)sc23)c1.
What is the InChIKey of 2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is JNLQVSNJZLMZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNOS/c19-16-11-14-4-9-22-18(17(14)23-16)5-7-21(8-6-18)12-13-2-1-3-15(20)10-13/h1-3,10-11H,4-9,12H2.
What are the key properties of 2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 351.87 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1'-[(3-fluorophenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 169138674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).