2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane

C12H19FOSSi — CID 552758

IUPAC2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCSc1ccc(F)cc1
InChIInChI=1S/C12H19FOSSi/c1-16(2,3)9-8-14-10-15-12-6-4-11(13)5-7-12/h4-7H,8-10H2,1-3H3
InChIKeyIGIJOYZMJLPACO-UHFFFAOYSA-N
MW258.43 g/mol
LogP4.23
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane

2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane (PubChem CID 552758) has the molecular formula C12H19FOSSi and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane
PubChem CID552758
Molecular FormulaC12H19FOSSi
Molecular Weight258.43 g/mol
Exact Mass258.09
IUPAC Name2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCSc1ccc(F)cc1
InChIInChI=1S/C12H19FOSSi/c1-16(2,3)9-8-14-10-15-12-6-4-11(13)5-7-12/h4-7H,8-10H2,1-3H3
InChIKeyIGIJOYZMJLPACO-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Silane, trimethyl((phenylthio)methyl)-
CID 140295
Silane, trimethyl(4-(methylthio)phenyl)-
CID 140932
(2,2,2-Trifluoro-1-methoxyethyl)sulfanylbenzene
CID 11276083
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
Phenyl (E)-2-(trimethylsilyl)ethenyl sulfide
CID 11138322
Silane, trimethyl[1-(phenylthio)ethenyl]-
CID 11138323
Trimethyl[1-(phenylsulfanyl)prop-2-en-1-yl]silane
CID 12677743
[(E)-4-ethoxy-5,5,5-trifluoro-3-phenylsulfanylpent-3-en-1-ynyl]-trimethylsilane
CID 10783669
1-(1-Butoxyethylsulfanyl)-4-fluorobenzene
CID 101898093
3-(4-Fluorophenyl)sulfanylpropyl-trimethylsilane
CID 162407287
Trimethyl(2-(((4-(trifluoromethyl)phenyl)thio)methoxy)ethyl)silane
CID 171362123
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane (CID 552758) is 2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCSc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane?
The InChIKey is IGIJOYZMJLPACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FOSSi/c1-16(2,3)9-8-14-10-15-12-6-4-11(13)5-7-12/h4-7H,8-10H2,1-3H3.
What are the key properties of 2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane?
2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane has a molecular weight of 258.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfanylmethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 552758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).