2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium]

C11H13ClF2NOS+ — CID 134954817

IUPAC2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium]
SMILESFC1(F)COC2(CC[NH2+]CC2)c2sc(Cl)cc21
InChIInChI=1S/C11H12ClF2NOS/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/p+1
InChIKeyYYNOJCBVROUTEB-UHFFFAOYSA-O
MW280.75 g/mol
LogP2.08
Rot. Bonds

About 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium]

2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium] (PubChem CID 134954817) has the molecular formula C11H13ClF2NOS+ and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium].

Molecular Properties

Compound Name2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium]
PubChem CID134954817
Molecular FormulaC11H13ClF2NOS+
Molecular Weight280.75 g/mol
Exact Mass280.04
IUPAC Name2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium]
SMILESFC1(F)COC2(CC[NH2+]CC2)c2sc(Cl)cc21
InChIInChI=1S/C11H12ClF2NOS/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/p+1
InChIKeyYYNOJCBVROUTEB-UHFFFAOYSA-O
XLogP2.08
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium] 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
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
Tert-butyl 2'-chloro-4',4'-difluoro-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-1-carboxylate
CID 67167649
2'-Chloro-4',4'-difluoro-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran] hydrochloride
CID 67167684
4',5'-Dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-1-ium trifluoroacetate
CID 67168946
2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid
CID 67170009
2-chloro-4,4-difluoro-1'-[(3-methyl-4,5-dihydro-1H-pyrazol-4-yl)methyl]spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 68340495
2-bromo-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 83854839
4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
CID 140657334

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium]?
The IUPAC name of 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium] (CID 134954817) is 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium].
What is the SMILES notation for 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium]?
The canonical SMILES for 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium] is FC1(F)COC2(CC[NH2+]CC2)c2sc(Cl)cc21.
What is the InChIKey of 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium]?
The InChIKey is YYNOJCBVROUTEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H12ClF2NOS/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/p+1.
What are the key properties of 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium]?
2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium] has a molecular weight of 280.75 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidin-1-ium] is sourced from PubChem (CID 134954817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).