2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite

C5H6F6O3S — CID 87154902

IUPAC2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite
SMILESO=S(OCCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C5H6F6O3S/c6-4(7,8)1-2-13-15(12)14-3-5(9,10)11/h1-3H2
InChIKeyTWSNTGFEFIYUJM-UHFFFAOYSA-N
MW260.15 g/mol
LogP2.11
Rot. Bonds5

About 2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite

2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite (PubChem CID 87154902) has the molecular formula C5H6F6O3S and a molecular weight of 260.15 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite
PubChem CID87154902
Molecular FormulaC5H6F6O3S
Molecular Weight260.15 g/mol
Exact Mass259.99
IUPAC Name2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite
SMILESO=S(OCCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C5H6F6O3S/c6-4(7,8)1-2-13-15(12)14-3-5(9,10)11/h1-3H2
InChIKeyTWSNTGFEFIYUJM-UHFFFAOYSA-N
XLogP2.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bis(2,2,2-trifluoroethyl) sulfite
CID 318171
Bis(2,2,3,3-tetrafluoropropyl) sulfite
CID 13709358
Chlorosulfurous acid, 2,2,3,3-tetrafluoropropyl ester
CID 11481313
Bis(3,3,3-trifluoropropyl) sulfate
CID 87155271
Bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfite
CID 13382257
1,1,1-Trifluoro-2-(2,2,2-trifluoroethoxysulfanyloxy)ethane
CID 318172
Bis(2,2,3,3-tetrafluoropropyl) sulphate
CID 2736068
Bis(2,2,2-trifluoroethyl) sulfate
CID 13360356
3,3,3-Trifluoropropyl sulfite
CID 17910024
2,3-Difluoropropyl sulfite
CID 17910050
2,2-Difluoropropyl sulfite
CID 17910071
2,2,3,3,3-Pentafluoropropyl sulfite
CID 17910095

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite?
The IUPAC name of 2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite (CID 87154902) is 2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite.
What is the SMILES notation for 2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite?
The canonical SMILES for 2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite is O=S(OCCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite?
The InChIKey is TWSNTGFEFIYUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O3S/c6-4(7,8)1-2-13-15(12)14-3-5(9,10)11/h1-3H2.
What are the key properties of 2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite?
2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite has a molecular weight of 260.15 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 3,3,3-trifluoropropyl sulfite is sourced from PubChem (CID 87154902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).