8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran

C28H36F2O2 — CID 71170371

IUPAC8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran
SMILESCC1=CC2=C(C3OCC(C)CC3C2)[C@@H](C2(F)CC3=C(C=C2C)CC2CC(C)COC32)C1F
InChIInChI=1S/C28H36F2O2/c1-14-5-20-9-18-8-17(4)28(30,11-22(18)26(20)31-12-14)24-23-19(7-16(3)25(24)29)10-21-6-15(2)13-32-27(21)23/h7-8,14-15,20-21,24-27H,5-6,9-13H2,1-4H3/t14?,15?,20?,21?,24-,25?,26?,27?,28?/m1/s1
InChIKeySJUKZFQQSHVFNR-UAOIGIKSSA-N
MW442.59 g/mol
LogP6.44
Rot. Bonds1

About 8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran

8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran (PubChem CID 71170371) has the molecular formula C28H36F2O2 and a molecular weight of 442.59 g/mol. Its IUPAC name is 8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran.

Molecular Properties

Compound Name8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran
PubChem CID71170371
Molecular FormulaC28H36F2O2
Molecular Weight442.59 g/mol
Exact Mass442.27
IUPAC Name8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran
SMILESCC1=CC2=C(C3OCC(C)CC3C2)[C@@H](C2(F)CC3=C(C=C2C)CC2CC(C)COC32)C1F
InChIInChI=1S/C28H36F2O2/c1-14-5-20-9-18-8-17(4)28(30,11-22(18)26(20)31-12-14)24-23-19(7-16(3)25(24)29)10-21-6-15(2)13-32-27(21)23/h7-8,14-15,20-21,24-27H,5-6,9-13H2,1-4H3/t14?,15?,20?,21?,24-,25?,26?,27?,28?/m1/s1
InChIKeySJUKZFQQSHVFNR-UAOIGIKSSA-N
XLogP6.44
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 ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran?
The IUPAC name of 8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran (CID 71170371) is 8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran.
What is the SMILES notation for 8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran?
The canonical SMILES for 8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran is CC1=CC2=C(C3OCC(C)CC3C2)[C@@H](C2(F)CC3=C(C=C2C)CC2CC(C)COC32)C1F.
What is the InChIKey of 8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran?
The InChIKey is SJUKZFQQSHVFNR-UAOIGIKSSA-N. The full InChI is InChI=1S/C28H36F2O2/c1-14-5-20-9-18-8-17(4)28(30,11-22(18)26(20)31-12-14)24-23-19(7-16(3)25(24)29)10-21-6-15(2)13-32-27(21)23/h7-8,14-15,20-21,24-27H,5-6,9-13H2,1-4H3/t14?,15?,20?,21?,24-,25?,26?,27?,28?/m1/s1.
What are the key properties of 8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran?
8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran has a molecular weight of 442.59 g/mol, XLogP of 6.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-8-[(9R)-8-fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran-9-yl]-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran is sourced from PubChem (CID 71170371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).