difluoromethyl 2,2,2-trifluoroethyl sulfate

C3H3F5O4S — CID 87154581

IUPACdifluoromethyl 2,2,2-trifluoroethyl sulfate
SMILESO=S(=O)(OCC(F)(F)F)OC(F)F
InChIInChI=1S/C3H3F5O4S/c4-2(5)12-13(9,10)11-1-3(6,7)8/h2H,1H2
InChIKeyDOBKANJSTFZHHH-UHFFFAOYSA-N
MW230.11 g/mol
LogP1.05
Rot. Bonds4

About difluoromethyl 2,2,2-trifluoroethyl sulfate

difluoromethyl 2,2,2-trifluoroethyl sulfate (PubChem CID 87154581) has the molecular formula C3H3F5O4S and a molecular weight of 230.11 g/mol. Its IUPAC name is difluoromethyl 2,2,2-trifluoroethyl sulfate.

Molecular Properties

Compound Namedifluoromethyl 2,2,2-trifluoroethyl sulfate
PubChem CID87154581
Molecular FormulaC3H3F5O4S
Molecular Weight230.11 g/mol
Exact Mass229.97
IUPAC Namedifluoromethyl 2,2,2-trifluoroethyl sulfate
SMILESO=S(=O)(OCC(F)(F)F)OC(F)F
InChIInChI=1S/C3H3F5O4S/c4-2(5)12-13(9,10)11-1-3(6,7)8/h2H,1H2
InChIKeyDOBKANJSTFZHHH-UHFFFAOYSA-N
XLogP1.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of difluoromethyl 2,2,2-trifluoroethyl sulfate?
The IUPAC name of difluoromethyl 2,2,2-trifluoroethyl sulfate (CID 87154581) is difluoromethyl 2,2,2-trifluoroethyl sulfate.
What is the SMILES notation for difluoromethyl 2,2,2-trifluoroethyl sulfate?
The canonical SMILES for difluoromethyl 2,2,2-trifluoroethyl sulfate is O=S(=O)(OCC(F)(F)F)OC(F)F.
What is the InChIKey of difluoromethyl 2,2,2-trifluoroethyl sulfate?
The InChIKey is DOBKANJSTFZHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O4S/c4-2(5)12-13(9,10)11-1-3(6,7)8/h2H,1H2.
What are the key properties of difluoromethyl 2,2,2-trifluoroethyl sulfate?
difluoromethyl 2,2,2-trifluoroethyl sulfate has a molecular weight of 230.11 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl 2,2,2-trifluoroethyl sulfate is sourced from PubChem (CID 87154581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).