[(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol

C33H30Br2F6O4Si — CID 160856596

IUPAC[(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol
SMILESCCOc1ccc(Br)c(C(O[Si](C)(C)C)c2c(Br)ccc(F)c2F)c1F.CCOc1ccc2c(c1F)C(O)c1c-2ccc(F)c1F
InChIInChI=1S/C18H19Br2F3O2Si.C15H11F3O2/c1-5-24-13-9-7-11(20)15(17(13)23)18(25-26(2,3)4)14-10(19)6-8-12(21)16(14)22;1-2-20-10-6-4-8-7-3-5-9(16)13(17)11(7)15(19)12(8)14(10)18/h6-9,18H,5H2,1-4H3;3-6,15,19H,2H2,1H3
InChIKeySJYBSAOANLKVKP-UHFFFAOYSA-N
MW792.48 g/mol
LogP10.53
Rot. Bonds8

About [(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol

[(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol (PubChem CID 160856596) has the molecular formula C33H30Br2F6O4Si and a molecular weight of 792.48 g/mol. Its IUPAC name is [(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol.

Molecular Properties

Compound Name[(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol
PubChem CID160856596
Molecular FormulaC33H30Br2F6O4Si
Molecular Weight792.48 g/mol
Exact Mass790.02
IUPAC Name[(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol
SMILESCCOc1ccc(Br)c(C(O[Si](C)(C)C)c2c(Br)ccc(F)c2F)c1F.CCOc1ccc2c(c1F)C(O)c1c-2ccc(F)c1F
InChIInChI=1S/C18H19Br2F3O2Si.C15H11F3O2/c1-5-24-13-9-7-11(20)15(17(13)23)18(25-26(2,3)4)14-10(19)6-8-12(21)16(14)22;1-2-20-10-6-4-8-7-3-5-9(16)13(17)11(7)15(19)12(8)14(10)18/h6-9,18H,5H2,1-4H3;3-6,15,19H,2H2,1H3
InChIKeySJYBSAOANLKVKP-UHFFFAOYSA-N
XLogP10.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.48
LogP ≤ 510.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole
CID 141333473
2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene
CID 143128157
1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene
CID 58402522
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
2-bromo-3-ethoxy-6-fluorophenol
CID 119019688
1-[4-[4-[[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorophenyl]propan-1-ol
CID 88857111
1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol
CID 118967053
(4-ethoxy-2,3-difluorophenyl)-trimethylsilane
CID 15751975
CID 164823730
CID 164823730
1-[2,3-difluoro-4-[4-(methoxymethylidene)cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 67434471
6-ethoxy-2,3-difluorobenzonitrile
CID 119017576
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
CID 171000857

Frequently Asked Questions

What is the IUPAC name of [(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol?
The IUPAC name of [(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol (CID 160856596) is [(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol.
What is the SMILES notation for [(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol?
The canonical SMILES for [(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol is CCOc1ccc(Br)c(C(O[Si](C)(C)C)c2c(Br)ccc(F)c2F)c1F.CCOc1ccc2c(c1F)C(O)c1c-2ccc(F)c1F.
What is the InChIKey of [(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol?
The InChIKey is SJYBSAOANLKVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2F3O2Si.C15H11F3O2/c1-5-24-13-9-7-11(20)15(17(13)23)18(25-26(2,3)4)14-10(19)6-8-12(21)16(14)22;1-2-20-10-6-4-8-7-3-5-9(16)13(17)11(7)15(19)12(8)14(10)18/h6-9,18H,5H2,1-4H3;3-6,15,19H,2H2,1H3.
What are the key properties of [(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol?
[(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol has a molecular weight of 792.48 g/mol, XLogP of 10.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-bromo-2,3-difluorophenyl)-(6-bromo-3-ethoxy-2-fluorophenyl)methoxy]-trimethylsilane;2-ethoxy-1,7,8-trifluoro-9H-fluoren-9-ol is sourced from PubChem (CID 160856596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).