2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol

C7H6F10O4S — CID 139483924

IUPAC2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol
SMILESO=S(=O)(CCO)C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F10O4S/c8-3(4(9,10)22(19,20)2-1-18)21-7(16,17)5(11,12)6(13,14)15/h3,18H,1-2H2
InChIKeyPHXJMHKDFSETKD-UHFFFAOYSA-N
MW376.17 g/mol
LogP2.09
Rot. Bonds7

About 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol

2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol (PubChem CID 139483924) has the molecular formula C7H6F10O4S and a molecular weight of 376.17 g/mol. Its IUPAC name is 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol.

Molecular Properties

Compound Name2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol
PubChem CID139483924
Molecular FormulaC7H6F10O4S
Molecular Weight376.17 g/mol
Exact Mass375.98
IUPAC Name2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol
SMILESO=S(=O)(CCO)C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F10O4S/c8-3(4(9,10)22(19,20)2-1-18)21-7(16,17)5(11,12)6(13,14)15/h3,18H,1-2H2
InChIKeyPHXJMHKDFSETKD-UHFFFAOYSA-N
XLogP2.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol?
The IUPAC name of 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol (CID 139483924) is 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol.
What is the SMILES notation for 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol?
The canonical SMILES for 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol is O=S(=O)(CCO)C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol?
The InChIKey is PHXJMHKDFSETKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10O4S/c8-3(4(9,10)22(19,20)2-1-18)21-7(16,17)5(11,12)6(13,14)15/h3,18H,1-2H2.
What are the key properties of 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol?
2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol has a molecular weight of 376.17 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol is sourced from PubChem (CID 139483924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).