ethyl 2,2,2-trifluoroethyl sulfite

C4H7F3O3S — CID 87155616

IUPACethyl 2,2,2-trifluoroethyl sulfite
SMILESCCOS(=O)OCC(F)(F)F
InChIInChI=1S/C4H7F3O3S/c1-2-9-11(8)10-3-4(5,6)7/h2-3H2,1H3
InChIKeySBJFPWIIUSKPQW-UHFFFAOYSA-N
MW192.16 g/mol
LogP1.18
Rot. Bonds4

About ethyl 2,2,2-trifluoroethyl sulfite

ethyl 2,2,2-trifluoroethyl sulfite (PubChem CID 87155616) has the molecular formula C4H7F3O3S and a molecular weight of 192.16 g/mol. Its IUPAC name is ethyl 2,2,2-trifluoroethyl sulfite.

Molecular Properties

Compound Nameethyl 2,2,2-trifluoroethyl sulfite
PubChem CID87155616
Molecular FormulaC4H7F3O3S
Molecular Weight192.16 g/mol
Exact Mass192.01
IUPAC Nameethyl 2,2,2-trifluoroethyl sulfite
SMILESCCOS(=O)OCC(F)(F)F
InChIInChI=1S/C4H7F3O3S/c1-2-9-11(8)10-3-4(5,6)7/h2-3H2,1H3
InChIKeySBJFPWIIUSKPQW-UHFFFAOYSA-N
XLogP1.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2,2-trifluoroethyl sulfite?
The IUPAC name of ethyl 2,2,2-trifluoroethyl sulfite (CID 87155616) is ethyl 2,2,2-trifluoroethyl sulfite.
What is the SMILES notation for ethyl 2,2,2-trifluoroethyl sulfite?
The canonical SMILES for ethyl 2,2,2-trifluoroethyl sulfite is CCOS(=O)OCC(F)(F)F.
What is the InChIKey of ethyl 2,2,2-trifluoroethyl sulfite?
The InChIKey is SBJFPWIIUSKPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O3S/c1-2-9-11(8)10-3-4(5,6)7/h2-3H2,1H3.
What are the key properties of ethyl 2,2,2-trifluoroethyl sulfite?
ethyl 2,2,2-trifluoroethyl sulfite has a molecular weight of 192.16 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,2-trifluoroethyl sulfite is sourced from PubChem (CID 87155616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).