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

C11H12BrF2NOS — CID 83854839

IUPAC2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
SMILESFC1(F)COC2(CCNCC2)c2sc(Br)cc21
InChIInChI=1S/C11H12BrF2NOS/c12-8-5-7-9(17-8)10(1-3-15-4-2-10)16-6-11(7,13)14/h5,15H,1-4,6H2
InChIKeyUSNPJKXAZMTZKD-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.21
Rot. Bonds

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

2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 83854839) has the molecular formula C11H12BrF2NOS and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID83854839
Molecular FormulaC11H12BrF2NOS
Molecular Weight324.19 g/mol
Exact Mass322.98
IUPAC Name2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
SMILESFC1(F)COC2(CCNCC2)c2sc(Br)cc21
InChIInChI=1S/C11H12BrF2NOS/c12-8-5-7-9(17-8)10(1-3-15-4-2-10)16-6-11(7,13)14/h5,15H,1-4,6H2
InChIKeyUSNPJKXAZMTZKD-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Related Compounds

6',7'-Dihydrospiro[piperidine-4,4'-thieno[3,2-c]pyran]
CID 53238518
2'-Chloro-4',4'-difluoro-4',5'-dihydrospiro[piperidine-4,7'-[7H]thieno[2,3-c]pyran]
CID 58268598
2-Fluorospiro(4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine)
CID 52951552
2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium]
CID 134954817
4',5'-Dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]
CID 52951549
2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 58268546
2-bromo-4,4-difluoro-1'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 58268551
2'-Chloro-4',4'-difluoro-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran] hydrochloride
CID 67167684
2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid
CID 67168669
tert-butyl 2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylate
CID 67168938
4',5'-Dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-1-ium trifluoroacetate
CID 67168946
2-Fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-piperidine]
CID 89532931

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] (CID 83854839) is 2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] is FC1(F)COC2(CCNCC2)c2sc(Br)cc21.
What is the InChIKey of 2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is USNPJKXAZMTZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NOS/c12-8-5-7-9(17-8)10(1-3-15-4-2-10)16-6-11(7,13)14/h5,15H,1-4,6H2.
What are the key properties of 2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 324.19 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 83854839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).