(10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene

C30H40F2O2 — CID 71170260

IUPAC(10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
SMILESCC1=CC2=C(C([C@@H]3C4=C(C=C(C)C3F)CCC3CC(C)COC43)C1F)[C@H]1OCC(C)CC1CC2
InChIInChI=1S/C30H40F2O2/c1-15-9-21-7-5-19-11-17(3)27(31)25(23(19)29(21)33-13-15)26-24-20(12-18(4)28(26)32)6-8-22-10-16(2)14-34-30(22)24/h11-12,15-16,21-22,25-30H,5-10,13-14H2,1-4H3/t15?,16?,21?,22?,25-,26?,27?,28?,29?,30-/m0/s1
InChIKeyGDGGLGXXSODQGE-WIXCOUBZSA-N
MW470.64 g/mol
LogP7.08
Rot. Bonds1

About (10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene

(10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene (PubChem CID 71170260) has the molecular formula C30H40F2O2 and a molecular weight of 470.64 g/mol. Its IUPAC name is (10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene.

Molecular Properties

Compound Name(10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
PubChem CID71170260
Molecular FormulaC30H40F2O2
Molecular Weight470.64 g/mol
Exact Mass470.30
IUPAC Name(10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
SMILESCC1=CC2=C(C([C@@H]3C4=C(C=C(C)C3F)CCC3CC(C)COC43)C1F)[C@H]1OCC(C)CC1CC2
InChIInChI=1S/C30H40F2O2/c1-15-9-21-7-5-19-11-17(3)27(31)25(23(19)29(21)33-13-15)26-24-20(12-18(4)28(26)32)6-8-22-10-16(2)14-34-30(22)24/h11-12,15-16,21-22,25-30H,5-10,13-14H2,1-4H3/t15?,16?,21?,22?,25-,26?,27?,28?,29?,30-/m0/s1
InChIKeyGDGGLGXXSODQGE-WIXCOUBZSA-N
XLogP7.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.64
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
The IUPAC name of (10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene (CID 71170260) is (10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene.
What is the SMILES notation for (10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
The canonical SMILES for (10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene is CC1=CC2=C(C([C@@H]3C4=C(C=C(C)C3F)CCC3CC(C)COC43)C1F)[C@H]1OCC(C)CC1CC2.
What is the InChIKey of (10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
The InChIKey is GDGGLGXXSODQGE-WIXCOUBZSA-N. The full InChI is InChI=1S/C30H40F2O2/c1-15-9-21-7-5-19-11-17(3)27(31)25(23(19)29(21)33-13-15)26-24-20(12-18(4)28(26)32)6-8-22-10-16(2)14-34-30(22)24/h11-12,15-16,21-22,25-30H,5-10,13-14H2,1-4H3/t15?,16?,21?,22?,25-,26?,27?,28?,29?,30-/m0/s1.
What are the key properties of (10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene?
(10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene has a molecular weight of 470.64 g/mol, XLogP of 7.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bS)-9-fluoro-10-[(10R)-9-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromen-10-yl]-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene is sourced from PubChem (CID 71170260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).