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

C14H20F3NOS — CID 169139563

IUPACethane;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCC.FC(F)(F)c1cc2c(s1)C1(CCNCC1)OCC2
InChIInChI=1S/C12H14F3NOS.C2H6/c13-12(14,15)9-7-8-1-6-17-11(10(8)18-9)2-4-16-5-3-11;1-2/h7,16H,1-6H2;1-2H3
InChIKeyDFFYONIRQFYPEX-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.94
Rot. Bonds

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

ethane;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 169139563) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is ethane;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Nameethane;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID169139563
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Nameethane;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCC.FC(F)(F)c1cc2c(s1)C1(CCNCC1)OCC2
InChIInChI=1S/C12H14F3NOS.C2H6/c13-12(14,15)9-7-8-1-6-17-11(10(8)18-9)2-4-16-5-3-11;1-2/h7,16H,1-6H2;1-2H3
InChIKeyDFFYONIRQFYPEX-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of ethane;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 169139563) is ethane;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for ethane;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for ethane;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is CC.FC(F)(F)c1cc2c(s1)C1(CCNCC1)OCC2.
What is the InChIKey of ethane;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is DFFYONIRQFYPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOS.C2H6/c13-12(14,15)9-7-8-1-6-17-11(10(8)18-9)2-4-16-5-3-11;1-2/h7,16H,1-6H2;1-2H3.
What are the key properties of ethane;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
ethane;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 307.38 g/mol, XLogP of 3.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 169139563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).