2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol

C16H21F2NO2S — CID 169137616

IUPAC2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
SMILESCC1CC2(CCN1)OCC(O)c1cc(C3CC(F)(F)C3)sc12
InChIInChI=1S/C16H21F2NO2S/c1-9-5-15(2-3-19-9)14-11(12(20)8-21-15)4-13(22-14)10-6-16(17,18)7-10/h4,9-10,12,19-20H,2-3,5-8H2,1H3
InChIKeyYMVGHJWBZUGTPP-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.29
Rot. Bonds1

About 2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol

2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol (PubChem CID 169137616) has the molecular formula C16H21F2NO2S and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
PubChem CID169137616
Molecular FormulaC16H21F2NO2S
Molecular Weight329.41 g/mol
Exact Mass329.13
IUPAC Name2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
SMILESCC1CC2(CCN1)OCC(O)c1cc(C3CC(F)(F)C3)sc12
InChIInChI=1S/C16H21F2NO2S/c1-9-5-15(2-3-19-9)14-11(12(20)8-21-15)4-13(22-14)10-6-16(17,18)7-10/h4,9-10,12,19-20H,2-3,5-8H2,1H3
InChIKeyYMVGHJWBZUGTPP-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol (CID 169137616) is 2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol is CC1CC2(CCN1)OCC(O)c1cc(C3CC(F)(F)C3)sc12.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
The InChIKey is YMVGHJWBZUGTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2S/c1-9-5-15(2-3-19-9)14-11(12(20)8-21-15)4-13(22-14)10-6-16(17,18)7-10/h4,9-10,12,19-20H,2-3,5-8H2,1H3.
What are the key properties of 2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol has a molecular weight of 329.41 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol is sourced from PubChem (CID 169137616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).