2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]

C12H14BrF2NOS — CID 58268551

IUPAC2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
SMILESCN1CCC2(CC1)OCC(F)(F)c1cc(Br)sc12
InChIInChI=1S/C12H14BrF2NOS/c1-16-4-2-11(3-5-16)10-8(6-9(13)18-10)12(14,15)7-17-11/h6H,2-5,7H2,1H3
InChIKeyUWYQATPWUZBAFI-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.55
Rot. Bonds

About 2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]

2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 58268551) has the molecular formula C12H14BrF2NOS and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID58268551
Molecular FormulaC12H14BrF2NOS
Molecular Weight338.22 g/mol
Exact Mass336.99
IUPAC Name2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
SMILESCN1CCC2(CC1)OCC(F)(F)c1cc(Br)sc12
InChIInChI=1S/C12H14BrF2NOS/c1-16-4-2-11(3-5-16)10-8(6-9(13)18-10)12(14,15)7-17-11/h6H,2-5,7H2,1H3
InChIKeyUWYQATPWUZBAFI-UHFFFAOYSA-N
XLogP3.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] (CID 58268551) is 2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] is CN1CCC2(CC1)OCC(F)(F)c1cc(Br)sc12.
What is the InChIKey of 2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is UWYQATPWUZBAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NOS/c1-16-4-2-11(3-5-16)10-8(6-9(13)18-10)12(14,15)7-17-11/h6H,2-5,7H2,1H3.
What are the key properties of 2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 338.22 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 58268551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).