(2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C15H21F2NOS — CID 164725625

IUPAC(2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESC[C@@H]1CC2(C[C@H](C)N1)OCCc1cc(CC(F)F)sc12
InChIInChI=1S/C15H21F2NOS/c1-9-7-15(8-10(2)18-9)14-11(3-4-19-15)5-12(20-14)6-13(16)17/h5,9-10,13,18H,3-4,6-8H2,1-2H3/t9-,10+,15?
InChIKeyBXZNXTCBDSQMQY-WYPFBEBGSA-N
MW301.40 g/mol
LogP3.48
Rot. Bonds2

About (2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

(2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 164725625) has the molecular formula C15H21F2NOS and a molecular weight of 301.40 g/mol. Its IUPAC name is (2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name(2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID164725625
Molecular FormulaC15H21F2NOS
Molecular Weight301.40 g/mol
Exact Mass301.13
IUPAC Name(2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESC[C@@H]1CC2(C[C@H](C)N1)OCCc1cc(CC(F)F)sc12
InChIInChI=1S/C15H21F2NOS/c1-9-7-15(8-10(2)18-9)14-11(3-4-19-15)5-12(20-14)6-13(16)17/h5,9-10,13,18H,3-4,6-8H2,1-2H3/t9-,10+,15?
InChIKeyBXZNXTCBDSQMQY-WYPFBEBGSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of (2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 164725625) is (2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for (2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for (2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is C[C@@H]1CC2(C[C@H](C)N1)OCCc1cc(CC(F)F)sc12.
What is the InChIKey of (2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is BXZNXTCBDSQMQY-WYPFBEBGSA-N. The full InChI is InChI=1S/C15H21F2NOS/c1-9-7-15(8-10(2)18-9)14-11(3-4-19-15)5-12(20-14)6-13(16)17/h5,9-10,13,18H,3-4,6-8H2,1-2H3/t9-,10+,15?.
What are the key properties of (2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
(2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 301.40 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,6'S)-2-(2,2-difluoroethyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 164725625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).