difluoromethyl 2,2,2-trifluoroethyl sulfite

C3H3F5O3S — CID 87154524

IUPACdifluoromethyl 2,2,2-trifluoroethyl sulfite
SMILESO=S(OCC(F)(F)F)OC(F)F
InChIInChI=1S/C3H3F5O3S/c4-2(5)11-12(9)10-1-3(6,7)8/h2H,1H2
InChIKeyDHDAKEIYETVQRY-UHFFFAOYSA-N
MW214.11 g/mol
LogP1.38
Rot. Bonds4

About difluoromethyl 2,2,2-trifluoroethyl sulfite

difluoromethyl 2,2,2-trifluoroethyl sulfite (PubChem CID 87154524) has the molecular formula C3H3F5O3S and a molecular weight of 214.11 g/mol. Its IUPAC name is difluoromethyl 2,2,2-trifluoroethyl sulfite.

Molecular Properties

Compound Namedifluoromethyl 2,2,2-trifluoroethyl sulfite
PubChem CID87154524
Molecular FormulaC3H3F5O3S
Molecular Weight214.11 g/mol
Exact Mass213.97
IUPAC Namedifluoromethyl 2,2,2-trifluoroethyl sulfite
SMILESO=S(OCC(F)(F)F)OC(F)F
InChIInChI=1S/C3H3F5O3S/c4-2(5)11-12(9)10-1-3(6,7)8/h2H,1H2
InChIKeyDHDAKEIYETVQRY-UHFFFAOYSA-N
XLogP1.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of difluoromethyl 2,2,2-trifluoroethyl sulfite?
The IUPAC name of difluoromethyl 2,2,2-trifluoroethyl sulfite (CID 87154524) is difluoromethyl 2,2,2-trifluoroethyl sulfite.
What is the SMILES notation for difluoromethyl 2,2,2-trifluoroethyl sulfite?
The canonical SMILES for difluoromethyl 2,2,2-trifluoroethyl sulfite is O=S(OCC(F)(F)F)OC(F)F.
What is the InChIKey of difluoromethyl 2,2,2-trifluoroethyl sulfite?
The InChIKey is DHDAKEIYETVQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O3S/c4-2(5)11-12(9)10-1-3(6,7)8/h2H,1H2.
What are the key properties of difluoromethyl 2,2,2-trifluoroethyl sulfite?
difluoromethyl 2,2,2-trifluoroethyl sulfite has a molecular weight of 214.11 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl 2,2,2-trifluoroethyl sulfite is sourced from PubChem (CID 87154524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).