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

C14H16F3NOS — CID 169137555

IUPACacetylene;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESC#C.FC(F)(F)c1cc2c(s1)C1(CCNCC1)OCC2
InChIInChI=1S/C12H14F3NOS.C2H2/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;1-2H
InChIKeyMEWNFZOBBJGWFZ-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.17
Rot. Bonds

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

acetylene;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 169137555) has the molecular formula C14H16F3NOS and a molecular weight of 303.35 g/mol. Its IUPAC name is acetylene;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Nameacetylene;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID169137555
Molecular FormulaC14H16F3NOS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Nameacetylene;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESC#C.FC(F)(F)c1cc2c(s1)C1(CCNCC1)OCC2
InChIInChI=1S/C12H14F3NOS.C2H2/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;1-2H
InChIKeyMEWNFZOBBJGWFZ-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of acetylene;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 169137555) is acetylene;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for acetylene;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for acetylene;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is C#C.FC(F)(F)c1cc2c(s1)C1(CCNCC1)OCC2.
What is the InChIKey of acetylene;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is MEWNFZOBBJGWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOS.C2H2/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;1-2H.
What are the key properties of acetylene;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
acetylene;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 303.35 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 169137555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).