(8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran

C28H36F2O2 — CID 71170368

IUPAC(8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran
SMILESCC1=C(F)C2=C(C3OCC(C)CC3C2)C([C@@H]2CC3=C(CC4CC(C)COC34)C(F)=C2C)C1
InChIInChI=1S/C28H36F2O2/c1-13-5-17-8-21-22(27(17)31-11-13)10-19(16(4)26(21)30)20-7-15(3)25(29)23-9-18-6-14(2)12-32-28(18)24(20)23/h13-14,17-20,27-28H,5-12H2,1-4H3/t13?,14?,17?,18?,19-,20?,27?,28?/m1/s1
InChIKeyZNBFHRJMMAODLV-WJYPRKAZSA-N
MW442.59 g/mol
LogP7.00
Rot. Bonds1

About (8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran

(8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran (PubChem CID 71170368) has the molecular formula C28H36F2O2 and a molecular weight of 442.59 g/mol. Its IUPAC name is (8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran.

Molecular Properties

Compound Name(8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran
PubChem CID71170368
Molecular FormulaC28H36F2O2
Molecular Weight442.59 g/mol
Exact Mass442.27
IUPAC Name(8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran
SMILESCC1=C(F)C2=C(C3OCC(C)CC3C2)C([C@@H]2CC3=C(CC4CC(C)COC34)C(F)=C2C)C1
InChIInChI=1S/C28H36F2O2/c1-13-5-17-8-21-22(27(17)31-11-13)10-19(16(4)26(21)30)20-7-15(3)25(29)23-9-18-6-14(2)12-32-28(18)24(20)23/h13-14,17-20,27-28H,5-12H2,1-4H3/t13?,14?,17?,18?,19-,20?,27?,28?/m1/s1
InChIKeyZNBFHRJMMAODLV-WJYPRKAZSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.59
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran?
The IUPAC name of (8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran (CID 71170368) is (8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran.
What is the SMILES notation for (8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran?
The canonical SMILES for (8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran is CC1=C(F)C2=C(C3OCC(C)CC3C2)C([C@@H]2CC3=C(CC4CC(C)COC34)C(F)=C2C)C1.
What is the InChIKey of (8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran?
The InChIKey is ZNBFHRJMMAODLV-WJYPRKAZSA-N. The full InChI is InChI=1S/C28H36F2O2/c1-13-5-17-8-21-22(27(17)31-11-13)10-19(16(4)26(21)30)20-7-15(3)25(29)23-9-18-6-14(2)12-32-28(18)24(20)23/h13-14,17-20,27-28H,5-12H2,1-4H3/t13?,14?,17?,18?,19-,20?,27?,28?/m1/s1.
What are the key properties of (8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran?
(8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran has a molecular weight of 442.59 g/mol, XLogP of 7.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-6-fluoro-8-(6-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl)-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran is sourced from PubChem (CID 71170368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).