(10R)-7-fluoro-10-(7-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 71170262

IUPAC(10R)-7-fluoro-10-(7-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=C(F)C2=C(C3OCC(C)CC3CC2)C([C@H]2CC(C)=C(F)C3=C2C2OCC(C)CC2CC3)C1
InChIInChI=1S/C30H40F2O2/c1-15-9-19-5-7-21-25(29(19)33-13-15)23(11-17(3)27(21)31)24-12-18(4)28(32)22-8-6-20-10-16(2)14-34-30(20)26(22)24/h15-16,19-20,23-24,29-30H,5-14H2,1-4H3/t15?,16?,19?,20?,23-,24?,29?,30?/m1/s1
InChIKeyQYZXZGKSTKYGSQ-CIPBNEGVSA-N
MW470.64 g/mol
LogP7.78
Rot. Bonds1

About (10R)-7-fluoro-10-(7-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

(10R)-7-fluoro-10-(7-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 71170262) has the molecular formula C30H40F2O2 and a molecular weight of 470.64 g/mol. Its IUPAC name is (10R)-7-fluoro-10-(7-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(10R)-7-fluoro-10-(7-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 CID71170262
Molecular FormulaC30H40F2O2
Molecular Weight470.64 g/mol
Exact Mass470.30
IUPAC Name(10R)-7-fluoro-10-(7-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=C(F)C2=C(C3OCC(C)CC3CC2)C([C@H]2CC(C)=C(F)C3=C2C2OCC(C)CC2CC3)C1
InChIInChI=1S/C30H40F2O2/c1-15-9-19-5-7-21-25(29(19)33-13-15)23(11-17(3)27(21)31)24-12-18(4)28(32)22-8-6-20-10-16(2)14-34-30(20)26(22)24/h15-16,19-20,23-24,29-30H,5-14H2,1-4H3/t15?,16?,19?,20?,23-,24?,29?,30?/m1/s1
InChIKeyQYZXZGKSTKYGSQ-CIPBNEGVSA-N
XLogP7.78
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 ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (10R)-7-fluoro-10-(7-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[2-(4-Ethoxy-3-fluorocyclohex-2-en-1-yl)ethyl]cyclohexa-2,4-dien-1-yl]-1,2-difluoro-3-(4-propylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
CID 68362780
6-[4-[2-(4-Ethoxy-2-fluorocyclohex-2-en-1-yl)ethyl]cyclohexa-2,4-dien-1-yl]-1,2-difluoro-3-(4-propylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
CID 68362914
7-fluoro-3,8-dimethyl-3,4,4a,5,6,9,10,10b-octahydro-2H-benzo[h]chromene
CID 71170229
(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
(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
(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
(8S)-8-fluoro-8-(8-fluoro-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran-8-yl)-3,7-dimethyl-3,4,4a,5,9,9b-hexahydro-2H-indeno[1,2-b]pyran
CID 71170370
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
(9R)-6-fluoro-9-(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 71170372
(10R)-10-(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 71170338

Frequently Asked Questions

What is the IUPAC name of (10R)-7-fluoro-10-(7-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 (10R)-7-fluoro-10-(7-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 71170262) is (10R)-7-fluoro-10-(7-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 (10R)-7-fluoro-10-(7-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 (10R)-7-fluoro-10-(7-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=C(F)C2=C(C3OCC(C)CC3CC2)C([C@H]2CC(C)=C(F)C3=C2C2OCC(C)CC2CC3)C1.
What is the InChIKey of (10R)-7-fluoro-10-(7-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 QYZXZGKSTKYGSQ-CIPBNEGVSA-N. The full InChI is InChI=1S/C30H40F2O2/c1-15-9-19-5-7-21-25(29(19)33-13-15)23(11-17(3)27(21)31)24-12-18(4)28(32)22-8-6-20-10-16(2)14-34-30(20)26(22)24/h15-16,19-20,23-24,29-30H,5-14H2,1-4H3/t15?,16?,19?,20?,23-,24?,29?,30?/m1/s1.
What are the key properties of (10R)-7-fluoro-10-(7-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?
(10R)-7-fluoro-10-(7-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 7.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-7-fluoro-10-(7-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 71170262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).