2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene

C18H17F3OS2 — CID 143128157

IUPAC2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene
SMILESCCOc1ccc2c(c1F)C(SCCSC)c1c-2ccc(F)c1F
InChIInChI=1S/C18H17F3OS2/c1-3-22-13-7-5-11-10-4-6-12(19)16(20)14(10)18(15(11)17(13)21)24-9-8-23-2/h4-7,18H,3,8-9H2,1-2H3
InChIKeyWOMLQQRCHMYQAF-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.67
Rot. Bonds6

About 2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene

2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene (PubChem CID 143128157) has the molecular formula C18H17F3OS2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene.

Molecular Properties

Compound Name2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene
PubChem CID143128157
Molecular FormulaC18H17F3OS2
Molecular Weight370.46 g/mol
Exact Mass370.07
IUPAC Name2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene
SMILESCCOc1ccc2c(c1F)C(SCCSC)c1c-2ccc(F)c1F
InChIInChI=1S/C18H17F3OS2/c1-3-22-13-7-5-11-10-4-6-12(19)16(20)14(10)18(15(11)17(13)21)24-9-8-23-2/h4-7,18H,3,8-9H2,1-2H3
InChIKeyWOMLQQRCHMYQAF-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(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
6-ethoxy-2,3-difluorobenzonitrile
CID 119017576
1-(2,3-difluoro-4-propylsulfanylphenyl)-4-ethoxy-2,3-difluorobenzene
CID 167433414
1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene
CID 58402522
1-butoxy-2,3,4-trifluorobenzene
CID 53441447
2-(4-ethoxy-2,3-difluorophenyl)selenophene
CID 59456301
1,2-difluoro-3-(2-methylsulfanylethoxy)benzene
CID 103907571
4-ethoxy-2,3-difluorobenzaldehyde
CID 14495625
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
2-(6-bromo-3-ethoxy-2-fluorophenyl)-1,3-dioxole
CID 141333473
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene?
The IUPAC name of 2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene (CID 143128157) is 2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene.
What is the SMILES notation for 2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene?
The canonical SMILES for 2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene is CCOc1ccc2c(c1F)C(SCCSC)c1c-2ccc(F)c1F.
What is the InChIKey of 2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene?
The InChIKey is WOMLQQRCHMYQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3OS2/c1-3-22-13-7-5-11-10-4-6-12(19)16(20)14(10)18(15(11)17(13)21)24-9-8-23-2/h4-7,18H,3,8-9H2,1-2H3.
What are the key properties of 2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene?
2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene has a molecular weight of 370.46 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,7,8-trifluoro-9-(2-methylsulfanylethylsulfanyl)-9H-fluorene is sourced from PubChem (CID 143128157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).