thiolan-2-yl 2,2,2-trifluoroacetate

C6H7F3O2S — CID 175285422

IUPACthiolan-2-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1CCCS1)C(F)(F)F
InChIInChI=1S/C6H7F3O2S/c7-6(8,9)5(10)11-4-2-1-3-12-4/h4H,1-3H2
InChIKeyONZJSUCAJMRCJE-UHFFFAOYSA-N
MW200.18 g/mol
LogP1.95
Rot. Bonds1

About thiolan-2-yl 2,2,2-trifluoroacetate

thiolan-2-yl 2,2,2-trifluoroacetate (PubChem CID 175285422) has the molecular formula C6H7F3O2S and a molecular weight of 200.18 g/mol. Its IUPAC name is thiolan-2-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namethiolan-2-yl 2,2,2-trifluoroacetate
PubChem CID175285422
Molecular FormulaC6H7F3O2S
Molecular Weight200.18 g/mol
Exact Mass200.01
IUPAC Namethiolan-2-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1CCCS1)C(F)(F)F
InChIInChI=1S/C6H7F3O2S/c7-6(8,9)5(10)11-4-2-1-3-12-4/h4H,1-3H2
InChIKeyONZJSUCAJMRCJE-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiolan-2-yl 2,2,2-trifluoroacetate?
The IUPAC name of thiolan-2-yl 2,2,2-trifluoroacetate (CID 175285422) is thiolan-2-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for thiolan-2-yl 2,2,2-trifluoroacetate?
The canonical SMILES for thiolan-2-yl 2,2,2-trifluoroacetate is O=C(OC1CCCS1)C(F)(F)F.
What is the InChIKey of thiolan-2-yl 2,2,2-trifluoroacetate?
The InChIKey is ONZJSUCAJMRCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O2S/c7-6(8,9)5(10)11-4-2-1-3-12-4/h4H,1-3H2.
What are the key properties of thiolan-2-yl 2,2,2-trifluoroacetate?
thiolan-2-yl 2,2,2-trifluoroacetate has a molecular weight of 200.18 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiolan-2-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 175285422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).