bis(3,3,3-trifluoropropyl) sulfate

C6H8F6O4S — CID 87155271

IUPACbis(3,3,3-trifluoropropyl) sulfate
SMILESO=S(=O)(OCCC(F)(F)F)OCCC(F)(F)F
InChIInChI=1S/C6H8F6O4S/c7-5(8,9)1-3-15-17(13,14)16-4-2-6(10,11)12/h1-4H2
InChIKeyHJUMQYPTELPELN-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.17
Rot. Bonds6

About bis(3,3,3-trifluoropropyl) sulfate

bis(3,3,3-trifluoropropyl) sulfate (PubChem CID 87155271) has the molecular formula C6H8F6O4S and a molecular weight of 290.18 g/mol. Its IUPAC name is bis(3,3,3-trifluoropropyl) sulfate.

Molecular Properties

Compound Namebis(3,3,3-trifluoropropyl) sulfate
PubChem CID87155271
Molecular FormulaC6H8F6O4S
Molecular Weight290.18 g/mol
Exact Mass290.00
IUPAC Namebis(3,3,3-trifluoropropyl) sulfate
SMILESO=S(=O)(OCCC(F)(F)F)OCCC(F)(F)F
InChIInChI=1S/C6H8F6O4S/c7-5(8,9)1-3-15-17(13,14)16-4-2-6(10,11)12/h1-4H2
InChIKeyHJUMQYPTELPELN-UHFFFAOYSA-N
XLogP2.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(3,3,3-trifluoropropyl) sulfate?
The IUPAC name of bis(3,3,3-trifluoropropyl) sulfate (CID 87155271) is bis(3,3,3-trifluoropropyl) sulfate.
What is the SMILES notation for bis(3,3,3-trifluoropropyl) sulfate?
The canonical SMILES for bis(3,3,3-trifluoropropyl) sulfate is O=S(=O)(OCCC(F)(F)F)OCCC(F)(F)F.
What is the InChIKey of bis(3,3,3-trifluoropropyl) sulfate?
The InChIKey is HJUMQYPTELPELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O4S/c7-5(8,9)1-3-15-17(13,14)16-4-2-6(10,11)12/h1-4H2.
What are the key properties of bis(3,3,3-trifluoropropyl) sulfate?
bis(3,3,3-trifluoropropyl) sulfate has a molecular weight of 290.18 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3,3-trifluoropropyl) sulfate is sourced from PubChem (CID 87155271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).