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

C17H23F2NOS — CID 164725712

IUPAC(2'R,6'S)-2-(3,3-difluorocyclobutyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESC[C@@H]1CC2(C[C@H](C)N1)OCCc1cc(C3CC(F)(F)C3)sc12
InChIInChI=1S/C17H23F2NOS/c1-10-6-16(7-11(2)20-10)15-12(3-4-21-16)5-14(22-15)13-8-17(18,19)9-13/h5,10-11,13,20H,3-4,6-9H2,1-2H3/t10-,11+,16?
InChIKeyWHIMXAHJZVXKBL-SOSAQKQKSA-N
MW327.44 g/mol
LogP4.19
Rot. Bonds1

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

(2'R,6'S)-2-(3,3-difluorocyclobutyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 164725712) has the molecular formula C17H23F2NOS and a molecular weight of 327.44 g/mol. Its IUPAC name is (2'R,6'S)-2-(3,3-difluorocyclobutyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name(2'R,6'S)-2-(3,3-difluorocyclobutyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID164725712
Molecular FormulaC17H23F2NOS
Molecular Weight327.44 g/mol
Exact Mass327.15
IUPAC Name(2'R,6'S)-2-(3,3-difluorocyclobutyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESC[C@@H]1CC2(C[C@H](C)N1)OCCc1cc(C3CC(F)(F)C3)sc12
InChIInChI=1S/C17H23F2NOS/c1-10-6-16(7-11(2)20-10)15-12(3-4-21-16)5-14(22-15)13-8-17(18,19)9-13/h5,10-11,13,20H,3-4,6-9H2,1-2H3/t10-,11+,16?
InChIKeyWHIMXAHJZVXKBL-SOSAQKQKSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (2'R,6'S)-2-(3,3-difluorocyclobutyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of (2'R,6'S)-2-(3,3-difluorocyclobutyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 164725712) is (2'R,6'S)-2-(3,3-difluorocyclobutyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for (2'R,6'S)-2-(3,3-difluorocyclobutyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for (2'R,6'S)-2-(3,3-difluorocyclobutyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is C[C@@H]1CC2(C[C@H](C)N1)OCCc1cc(C3CC(F)(F)C3)sc12.
What is the InChIKey of (2'R,6'S)-2-(3,3-difluorocyclobutyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is WHIMXAHJZVXKBL-SOSAQKQKSA-N. The full InChI is InChI=1S/C17H23F2NOS/c1-10-6-16(7-11(2)20-10)15-12(3-4-21-16)5-14(22-15)13-8-17(18,19)9-13/h5,10-11,13,20H,3-4,6-9H2,1-2H3/t10-,11+,16?.
What are the key properties of (2'R,6'S)-2-(3,3-difluorocyclobutyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
(2'R,6'S)-2-(3,3-difluorocyclobutyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 327.44 g/mol, XLogP of 4.19, 1 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-(3,3-difluorocyclobutyl)-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 164725712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).