(4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane

C21H27FOSSi — CID 140813616

IUPAC(4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccc2c(sc3ccccc32)c1F)(C(C)C)C(C)C
InChIInChI=1S/C21H27FOSSi/c1-13(2)25(14(3)4,15(5)6)23-18-12-11-17-16-9-7-8-10-19(16)24-21(17)20(18)22/h7-15H,1-6H3
InChIKeyFMMYWKOMORKABK-UHFFFAOYSA-N
MW374.60 g/mol
LogP7.75
Rot. Bonds5

About (4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane

(4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane (PubChem CID 140813616) has the molecular formula C21H27FOSSi and a molecular weight of 374.60 g/mol. Its IUPAC name is (4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane
PubChem CID140813616
Molecular FormulaC21H27FOSSi
Molecular Weight374.60 g/mol
Exact Mass374.15
IUPAC Name(4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccc2c(sc3ccccc32)c1F)(C(C)C)C(C)C
InChIInChI=1S/C21H27FOSSi/c1-13(2)25(14(3)4,15(5)6)23-18-12-11-17-16-9-7-8-10-19(16)24-21(17)20(18)22/h7-15H,1-6H3
InChIKeyFMMYWKOMORKABK-UHFFFAOYSA-N
XLogP7.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.60
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

15-methyl-12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 134472332
2-(3-methoxydibenzothiophen-4-yl)-1,6-dimethylpyridin-1-ium
CID 170175840
4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane
CID 159323591
(4-methyldibenzothiophen-3-yl) acetate
CID 59573083
(3-fluoro-1-benzothiophen-2-yl) hydrogen carbonate
CID 69364733
2-hydroxy-4,9-bis[2-tri(propan-2-yl)silyloxyphenyl]benzo[f]isoindole-1,3-dione
CID 102079994
bis(dibenzothiophene);ethane
CID 143921746
4-butan-2-yldibenzothiophene
CID 59503099
3-chlorodibenzothiophen-4-ol
CID 901536
3-(2,3-difluoro-4-methylphenoxy)-4,6-difluoro-7-methyldibenzothiophene
CID 118458286
2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118245250
dibenzothiophene;methane
CID 162233710

Frequently Asked Questions

What is the IUPAC name of (4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane (CID 140813616) is (4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane is CC(C)[Si](Oc1ccc2c(sc3ccccc32)c1F)(C(C)C)C(C)C.
What is the InChIKey of (4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is FMMYWKOMORKABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FOSSi/c1-13(2)25(14(3)4,15(5)6)23-18-12-11-17-16-9-7-8-10-19(16)24-21(17)20(18)22/h7-15H,1-6H3.
What are the key properties of (4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane?
(4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 374.60 g/mol, XLogP of 7.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorodibenzothiophen-3-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 140813616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).