1-fluoro-1-trimethoxysilylpropane-1-thiol

C6H15FO3SSi — CID 88708282

IUPAC1-fluoro-1-trimethoxysilylpropane-1-thiol
SMILESCCC(F)(S)[Si](OC)(OC)OC
InChIInChI=1S/C6H15FO3SSi/c1-5-6(7,11)12(8-2,9-3)10-4/h11H,5H2,1-4H3
InChIKeyHUXCJOOOBDMVFW-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.41
Rot. Bonds5

About 1-fluoro-1-trimethoxysilylpropane-1-thiol

1-fluoro-1-trimethoxysilylpropane-1-thiol (PubChem CID 88708282) has the molecular formula C6H15FO3SSi and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-fluoro-1-trimethoxysilylpropane-1-thiol.

Molecular Properties

Compound Name1-fluoro-1-trimethoxysilylpropane-1-thiol
PubChem CID88708282
Molecular FormulaC6H15FO3SSi
Molecular Weight214.33 g/mol
Exact Mass214.05
IUPAC Name1-fluoro-1-trimethoxysilylpropane-1-thiol
SMILESCCC(F)(S)[Si](OC)(OC)OC
InChIInChI=1S/C6H15FO3SSi/c1-5-6(7,11)12(8-2,9-3)10-4/h11H,5H2,1-4H3
InChIKeyHUXCJOOOBDMVFW-UHFFFAOYSA-N
XLogP1.41
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-trimethoxysilylpropane-1,1-dithiol
CID 19012739
5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol
CID 87125331
3-trimethoxysilylheptane-3-thiol
CID 175119323
(3-ethyl-2,3-dimethylpentan-2-yl)-trimethoxysilane
CID 18696437
trimethoxy(1,1,8,8,8-pentafluorooctyl)silane
CID 141376252
(3-ethyl-2-methylpentan-3-yl)-trimethoxysilane
CID 139910270
2,2,3,3-tetrafluoro-1-methoxypentane
CID 168826300
(1S)-1-dimethoxysilyl-1-trimethylsilylpropane-1-thiol
CID 173465149
bromo-dimethoxy-(2,2,2-trifluoroethyl)silane
CID 87214032
2-amino-2-trimethoxysilylbutanoic acid
CID 150282177
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl(trimethoxy)silane
CID 54245041
4-trimethoxysilylhexane-1,4-diamine
CID 57134999

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-trimethoxysilylpropane-1-thiol?
The IUPAC name of 1-fluoro-1-trimethoxysilylpropane-1-thiol (CID 88708282) is 1-fluoro-1-trimethoxysilylpropane-1-thiol.
What is the SMILES notation for 1-fluoro-1-trimethoxysilylpropane-1-thiol?
The canonical SMILES for 1-fluoro-1-trimethoxysilylpropane-1-thiol is CCC(F)(S)[Si](OC)(OC)OC.
What is the InChIKey of 1-fluoro-1-trimethoxysilylpropane-1-thiol?
The InChIKey is HUXCJOOOBDMVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15FO3SSi/c1-5-6(7,11)12(8-2,9-3)10-4/h11H,5H2,1-4H3.
What are the key properties of 1-fluoro-1-trimethoxysilylpropane-1-thiol?
1-fluoro-1-trimethoxysilylpropane-1-thiol has a molecular weight of 214.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-trimethoxysilylpropane-1-thiol is sourced from PubChem (CID 88708282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).