ethyl trifluoromethyl sulfite

C3H5F3O3S — CID 87155378

IUPACethyl trifluoromethyl sulfite
SMILESCCOS(=O)OC(F)(F)F
InChIInChI=1S/C3H5F3O3S/c1-2-8-10(7)9-3(4,5)6/h2H2,1H3
InChIKeyJTXOTFOXIIANDQ-UHFFFAOYSA-N
MW178.13 g/mol
LogP1.14
Rot. Bonds3

About ethyl trifluoromethyl sulfite

ethyl trifluoromethyl sulfite (PubChem CID 87155378) has the molecular formula C3H5F3O3S and a molecular weight of 178.13 g/mol. Its IUPAC name is ethyl trifluoromethyl sulfite.

Molecular Properties

Compound Nameethyl trifluoromethyl sulfite
PubChem CID87155378
Molecular FormulaC3H5F3O3S
Molecular Weight178.13 g/mol
Exact Mass177.99
IUPAC Nameethyl trifluoromethyl sulfite
SMILESCCOS(=O)OC(F)(F)F
InChIInChI=1S/C3H5F3O3S/c1-2-8-10(7)9-3(4,5)6/h2H2,1H3
InChIKeyJTXOTFOXIIANDQ-UHFFFAOYSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl trifluoromethyl sulfite?
The IUPAC name of ethyl trifluoromethyl sulfite (CID 87155378) is ethyl trifluoromethyl sulfite.
What is the SMILES notation for ethyl trifluoromethyl sulfite?
The canonical SMILES for ethyl trifluoromethyl sulfite is CCOS(=O)OC(F)(F)F.
What is the InChIKey of ethyl trifluoromethyl sulfite?
The InChIKey is JTXOTFOXIIANDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O3S/c1-2-8-10(7)9-3(4,5)6/h2H2,1H3.
What are the key properties of ethyl trifluoromethyl sulfite?
ethyl trifluoromethyl sulfite has a molecular weight of 178.13 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl trifluoromethyl sulfite is sourced from PubChem (CID 87155378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).