[1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane

C7H13F3O3SSi — CID 175066146

IUPAC[1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane
SMILESO=S1(=O)CCC(OCCC(F)(F)F)C1[SiH3]
InChIInChI=1S/C7H13F3O3SSi/c8-7(9,10)2-3-13-5-1-4-14(11,12)6(5)15/h5-6H,1-4H2,15H3
InChIKeyJPVPPBPIDJMVMM-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.17
Rot. Bonds3

About [1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane

[1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane (PubChem CID 175066146) has the molecular formula C7H13F3O3SSi and a molecular weight of 262.32 g/mol. Its IUPAC name is [1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane.

Molecular Properties

Compound Name[1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane
PubChem CID175066146
Molecular FormulaC7H13F3O3SSi
Molecular Weight262.32 g/mol
Exact Mass262.03
IUPAC Name[1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane
SMILESO=S1(=O)CCC(OCCC(F)(F)F)C1[SiH3]
InChIInChI=1S/C7H13F3O3SSi/c8-7(9,10)2-3-13-5-1-4-14(11,12)6(5)15/h5-6H,1-4H2,15H3
InChIKeyJPVPPBPIDJMVMM-UHFFFAOYSA-N
XLogP-0.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3,3-trifluoropropoxy)cyclopentan-1-amine
CID 82955616
3-iodo-4-(3,3,3-trifluoropropoxy)oxolane
CID 114775005
2,2-dimethyl-5-(3,3,3-trifluoropropoxy)cyclopentan-1-amine
CID 82954432
4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride
CID 86775442
N-ethyl-2-(3,3,3-trifluoropropoxy)cyclopentan-1-amine
CID 82954260
(3R)-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 82955468
2-propoxy-3-(3,3,3-trifluoropropoxy)cyclobutan-1-ol
CID 107942629
3,3,3-trifluoropropyl 3-(1,1-dioxothian-4-yl)propanoate
CID 163782800
3-bromo-1-(3,3,3-trifluoropropoxy)spiro[3.4]octane
CID 82956875
4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol
CID 82957761
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine
CID 82958075
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.6]decan-1-amine
CID 82956691

Frequently Asked Questions

What is the IUPAC name of [1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane?
The IUPAC name of [1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane (CID 175066146) is [1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane.
What is the SMILES notation for [1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane?
The canonical SMILES for [1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane is O=S1(=O)CCC(OCCC(F)(F)F)C1[SiH3].
What is the InChIKey of [1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane?
The InChIKey is JPVPPBPIDJMVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O3SSi/c8-7(9,10)2-3-13-5-1-4-14(11,12)6(5)15/h5-6H,1-4H2,15H3.
What are the key properties of [1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane?
[1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane has a molecular weight of 262.32 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dioxo-3-(3,3,3-trifluoropropoxy)thiolan-2-yl]silane is sourced from PubChem (CID 175066146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).