(2'R,6'S)-2-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]

C13H16ClF2NOS — CID 167023954

IUPAC(2'R,6'S)-2-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
SMILESC[C@@H]1CC2(C[C@H](C)N1)OCC(F)(F)c1cc(Cl)sc12
InChIInChI=1S/C13H16ClF2NOS/c1-7-4-12(5-8(2)17-7)11-9(3-10(14)19-11)13(15,16)6-18-12/h3,7-8,17H,4-6H2,1-2H3/t7-,8+,12?
InChIKeyYLMDUTHRQXRAKC-ITGSWZIZSA-N
MW307.79 g/mol
LogP3.88
Rot. Bonds

About (2'R,6'S)-2-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]

(2'R,6'S)-2-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 167023954) has the molecular formula C13H16ClF2NOS and a molecular weight of 307.79 g/mol. Its IUPAC name is (2'R,6'S)-2-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name(2'R,6'S)-2-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID167023954
Molecular FormulaC13H16ClF2NOS
Molecular Weight307.79 g/mol
Exact Mass307.06
IUPAC Name(2'R,6'S)-2-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]
SMILESC[C@@H]1CC2(C[C@H](C)N1)OCC(F)(F)c1cc(Cl)sc12
InChIInChI=1S/C13H16ClF2NOS/c1-7-4-12(5-8(2)17-7)11-9(3-10(14)19-11)13(15,16)6-18-12/h3,7-8,17H,4-6H2,1-2H3/t7-,8+,12?
InChIKeyYLMDUTHRQXRAKC-ITGSWZIZSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2'R,6'S)-2-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of (2'R,6'S)-2-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] (CID 167023954) is (2'R,6'S)-2-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for (2'R,6'S)-2-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for (2'R,6'S)-2-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] is C[C@@H]1CC2(C[C@H](C)N1)OCC(F)(F)c1cc(Cl)sc12.
What is the InChIKey of (2'R,6'S)-2-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is YLMDUTHRQXRAKC-ITGSWZIZSA-N. The full InChI is InChI=1S/C13H16ClF2NOS/c1-7-4-12(5-8(2)17-7)11-9(3-10(14)19-11)13(15,16)6-18-12/h3,7-8,17H,4-6H2,1-2H3/t7-,8+,12?.
What are the key properties of (2'R,6'S)-2-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]?
(2'R,6'S)-2-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 307.79 g/mol, XLogP of 3.88, 0 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-chloro-4,4-difluoro-2',6'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 167023954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).