(2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone

C18H17F2NO2S — CID 134817056

IUPAC(2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccc(F)cc1F)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C18H17F2NO2S/c19-13-1-2-14(15(20)11-13)17(22)21-7-5-18(6-8-21)16-12(3-9-23-18)4-10-24-16/h1-2,4,10-11H,3,5-9H2
InChIKeyAMGGALJDNPCHAR-UHFFFAOYSA-N
MW349.40 g/mol
LogP3.73
Rot. Bonds1

About (2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone

(2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone (PubChem CID 134817056) has the molecular formula C18H17F2NO2S and a molecular weight of 349.40 g/mol. Its IUPAC name is (2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
PubChem CID134817056
Molecular FormulaC18H17F2NO2S
Molecular Weight349.40 g/mol
Exact Mass349.09
IUPAC Name(2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccc(F)cc1F)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C18H17F2NO2S/c19-13-1-2-14(15(20)11-13)17(22)21-7-5-18(6-8-21)16-12(3-9-23-18)4-10-24-16/h1-2,4,10-11H,3,5-9H2
InChIKeyAMGGALJDNPCHAR-UHFFFAOYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone (CID 134817056) is (2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone is O=C(c1ccc(F)cc1F)N1CCC2(CC1)OCCc1ccsc12.
What is the InChIKey of (2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The InChIKey is AMGGALJDNPCHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2S/c19-13-1-2-14(15(20)11-13)17(22)21-7-5-18(6-8-21)16-12(3-9-23-18)4-10-24-16/h1-2,4,10-11H,3,5-9H2.
What are the key properties of (2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
(2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone has a molecular weight of 349.40 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 134817056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).