(7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol

C14H18F3NO2S — CID 167024076

IUPAC(7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol
SMILESCC1CC2(CC(C)N1)OC[C@@H](O)c1sc(C(F)(F)F)cc12
InChIInChI=1S/C14H18F3NO2S/c1-7-4-13(5-8(2)18-7)9-3-11(14(15,16)17)21-12(9)10(19)6-20-13/h3,7-8,10,18-19H,4-6H2,1-2H3/t7?,8?,10-,13?/m1/s1
InChIKeyOSQBENZGZAGONV-UUZPLNBFSA-N
MW321.36 g/mol
LogP3.19
Rot. Bonds

About (7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol

(7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol (PubChem CID 167024076) has the molecular formula C14H18F3NO2S and a molecular weight of 321.36 g/mol. Its IUPAC name is (7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol.

Molecular Properties

Compound Name(7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol
PubChem CID167024076
Molecular FormulaC14H18F3NO2S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC Name(7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol
SMILESCC1CC2(CC(C)N1)OC[C@@H](O)c1sc(C(F)(F)F)cc12
InChIInChI=1S/C14H18F3NO2S/c1-7-4-13(5-8(2)18-7)9-3-11(14(15,16)17)21-12(9)10(19)6-20-13/h3,7-8,10,18-19H,4-6H2,1-2H3/t7?,8?,10-,13?/m1/s1
InChIKeyOSQBENZGZAGONV-UUZPLNBFSA-N
XLogP3.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol?
The IUPAC name of (7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol (CID 167024076) is (7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol.
What is the SMILES notation for (7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol?
The canonical SMILES for (7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol is CC1CC2(CC(C)N1)OC[C@@H](O)c1sc(C(F)(F)F)cc12.
What is the InChIKey of (7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol?
The InChIKey is OSQBENZGZAGONV-UUZPLNBFSA-N. The full InChI is InChI=1S/C14H18F3NO2S/c1-7-4-13(5-8(2)18-7)9-3-11(14(15,16)17)21-12(9)10(19)6-20-13/h3,7-8,10,18-19H,4-6H2,1-2H3/t7?,8?,10-,13?/m1/s1.
What are the key properties of (7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol?
(7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol has a molecular weight of 321.36 g/mol, XLogP of 3.19, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-7-ol is sourced from PubChem (CID 167024076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).