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

C14H16F3NOS — CID 169138676

IUPAC(2'R)-2'-ethenyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESC=C[C@H]1CC2(CCN1)OCCc1cc(C(F)(F)F)sc12
InChIInChI=1S/C14H16F3NOS/c1-2-10-8-13(4-5-18-10)12-9(3-6-19-13)7-11(20-12)14(15,16)17/h2,7,10,18H,1,3-6,8H2/t10-,13?/m0/s1
InChIKeyLOCZDMIXASXRPO-NKUHCKNESA-N
MW303.35 g/mol
LogP3.47
Rot. Bonds1

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

(2'R)-2'-ethenyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 169138676) has the molecular formula C14H16F3NOS and a molecular weight of 303.35 g/mol. Its IUPAC name is (2'R)-2'-ethenyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name(2'R)-2'-ethenyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID169138676
Molecular FormulaC14H16F3NOS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name(2'R)-2'-ethenyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESC=C[C@H]1CC2(CCN1)OCCc1cc(C(F)(F)F)sc12
InChIInChI=1S/C14H16F3NOS/c1-2-10-8-13(4-5-18-10)12-9(3-6-19-13)7-11(20-12)14(15,16)17/h2,7,10,18H,1,3-6,8H2/t10-,13?/m0/s1
InChIKeyLOCZDMIXASXRPO-NKUHCKNESA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2'R)-2'-ethenyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of (2'R)-2'-ethenyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 169138676) is (2'R)-2'-ethenyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for (2'R)-2'-ethenyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for (2'R)-2'-ethenyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is C=C[C@H]1CC2(CCN1)OCCc1cc(C(F)(F)F)sc12.
What is the InChIKey of (2'R)-2'-ethenyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is LOCZDMIXASXRPO-NKUHCKNESA-N. The full InChI is InChI=1S/C14H16F3NOS/c1-2-10-8-13(4-5-18-10)12-9(3-6-19-13)7-11(20-12)14(15,16)17/h2,7,10,18H,1,3-6,8H2/t10-,13?/m0/s1.
What are the key properties of (2'R)-2'-ethenyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
(2'R)-2'-ethenyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 303.35 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R)-2'-ethenyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 169138676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).