(9R)-8-fluoro-9-(8-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 71170244

IUPAC(9R)-8-fluoro-9-(8-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=CC2=C(C3OCC(C)CC3C2)C([C@@H]2C3=C(C=C(C)C2F)CC2CC(C)COC32)C1F
InChIInChI=1S/C28H36F2O2/c1-13-5-19-9-17-7-15(3)25(29)23(21(17)27(19)31-11-13)24-22-18(8-16(4)26(24)30)10-20-6-14(2)12-32-28(20)22/h7-8,13-14,19-20,23-28H,5-6,9-12H2,1-4H3/t13?,14?,19?,20?,23-,24?,25?,26?,27?,28?/m0/s1
InChIKeyQPHVYGTXZFACQU-JOFODGOESA-N
MW442.59 g/mol
LogP6.30
Rot. Bonds1

About (9R)-8-fluoro-9-(8-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

(9R)-8-fluoro-9-(8-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 71170244) has the molecular formula C28H36F2O2 and a molecular weight of 442.59 g/mol. Its IUPAC name is (9R)-8-fluoro-9-(8-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(9R)-8-fluoro-9-(8-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 CID71170244
Molecular FormulaC28H36F2O2
Molecular Weight442.59 g/mol
Exact Mass442.27
IUPAC Name(9R)-8-fluoro-9-(8-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=CC2=C(C3OCC(C)CC3C2)C([C@@H]2C3=C(C=C(C)C2F)CC2CC(C)COC32)C1F
InChIInChI=1S/C28H36F2O2/c1-13-5-19-9-17-7-15(3)25(29)23(21(17)27(19)31-11-13)24-22-18(8-16(4)26(24)30)10-20-6-14(2)12-32-28(20)22/h7-8,13-14,19-20,23-28H,5-6,9-12H2,1-4H3/t13?,14?,19?,20?,23-,24?,25?,26?,27?,28?/m0/s1
InChIKeyQPHVYGTXZFACQU-JOFODGOESA-N
XLogP6.30
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 ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (9R)-8-fluoro-9-(8-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 (9R)-8-fluoro-9-(8-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 (9R)-8-fluoro-9-(8-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 71170244) is (9R)-8-fluoro-9-(8-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 (9R)-8-fluoro-9-(8-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 (9R)-8-fluoro-9-(8-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=CC2=C(C3OCC(C)CC3C2)C([C@@H]2C3=C(C=C(C)C2F)CC2CC(C)COC32)C1F.
What is the InChIKey of (9R)-8-fluoro-9-(8-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 QPHVYGTXZFACQU-JOFODGOESA-N. The full InChI is InChI=1S/C28H36F2O2/c1-13-5-19-9-17-7-15(3)25(29)23(21(17)27(19)31-11-13)24-22-18(8-16(4)26(24)30)10-20-6-14(2)12-32-28(20)22/h7-8,13-14,19-20,23-28H,5-6,9-12H2,1-4H3/t13?,14?,19?,20?,23-,24?,25?,26?,27?,28?/m0/s1.
What are the key properties of (9R)-8-fluoro-9-(8-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?
(9R)-8-fluoro-9-(8-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 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-8-fluoro-9-(8-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 71170244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).