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

C12H14F3NOS — CID 169137556

IUPAC2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESFC(F)(F)c1cc2c(s1)C1(CCNCC1)OCC2
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)9-7-8-1-6-17-11(10(8)18-9)2-4-16-5-3-11/h7,16H,1-6H2
InChIKeyGOGQDSOZRXZXIY-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.92
Rot. Bonds

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

2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 169137556) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID169137556
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESFC(F)(F)c1cc2c(s1)C1(CCNCC1)OCC2
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)9-7-8-1-6-17-11(10(8)18-9)2-4-16-5-3-11/h7,16H,1-6H2
InChIKeyGOGQDSOZRXZXIY-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6',7'-Dihydrospiro[piperidine-4,4'-thieno[3,2-c]pyran]
CID 53238518
4',5'-Dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]; trifluoroacetic acid
CID 131871963
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-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
CID 53237588
2-Fluorospiro[6,7-dihydrothieno[3,2-c]pyran-4,3'-pyrrolidine]
CID 53238742
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
2,4,4-trifluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid
CID 67167944

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 169137556) is 2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is FC(F)(F)c1cc2c(s1)C1(CCNCC1)OCC2.
What is the InChIKey of 2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is GOGQDSOZRXZXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOS/c13-12(14,15)9-7-8-1-6-17-11(10(8)18-9)2-4-16-5-3-11/h7,16H,1-6H2.
What are the key properties of 2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 277.31 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 169137556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).