bis(2,2,3,3,3-pentafluoropropyl) sulfate

C6H4F10O4S — CID 87155073

IUPACbis(2,2,3,3,3-pentafluoropropyl) sulfate
SMILESO=S(=O)(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F10O4S/c7-3(8,5(11,12)13)1-19-21(17,18)20-2-4(9,10)6(14,15)16/h1-2H2
InChIKeyNBJGHDWCTZTEEE-UHFFFAOYSA-N
MW362.14 g/mol
LogP2.66
Rot. Bonds6

About bis(2,2,3,3,3-pentafluoropropyl) sulfate

bis(2,2,3,3,3-pentafluoropropyl) sulfate (PubChem CID 87155073) has the molecular formula C6H4F10O4S and a molecular weight of 362.14 g/mol. Its IUPAC name is bis(2,2,3,3,3-pentafluoropropyl) sulfate.

Molecular Properties

Compound Namebis(2,2,3,3,3-pentafluoropropyl) sulfate
PubChem CID87155073
Molecular FormulaC6H4F10O4S
Molecular Weight362.14 g/mol
Exact Mass361.97
IUPAC Namebis(2,2,3,3,3-pentafluoropropyl) sulfate
SMILESO=S(=O)(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F10O4S/c7-3(8,5(11,12)13)1-19-21(17,18)20-2-4(9,10)6(14,15)16/h1-2H2
InChIKeyNBJGHDWCTZTEEE-UHFFFAOYSA-N
XLogP2.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.14
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bis(2,2,2-trifluoroethyl) sulfite
CID 318171
mHPFSO4 n=2
CID 139595568
2:2 Fluorotelomer alcohol sulfate
CID 162396676
Bis(2,2,3,3-tetrafluoropropyl) sulfite
CID 13709358
2,2,2-Trifluoroethyl trifluoromethyl sulfate
CID 21270370
Bis(3,3,3-trifluoropropyl) sulfate
CID 87155271
2,2,3,3-Tetrafluoropropyl hydrogen sulfate
CID 12650402
1,1,1-Trifluoro-3-fluorosulfonyloxypropane
CID 178326877
Vdojtpuptjjwtk-uhfffaoysa-
CID 12603897
Bis(2,2,3,3-tetrafluoropropyl) sulphate
CID 2736068
Bis(2,2,2-trifluoroethyl) sulfate
CID 13360356
Bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfate
CID 13360358

Frequently Asked Questions

What is the IUPAC name of bis(2,2,3,3,3-pentafluoropropyl) sulfate?
The IUPAC name of bis(2,2,3,3,3-pentafluoropropyl) sulfate (CID 87155073) is bis(2,2,3,3,3-pentafluoropropyl) sulfate.
What is the SMILES notation for bis(2,2,3,3,3-pentafluoropropyl) sulfate?
The canonical SMILES for bis(2,2,3,3,3-pentafluoropropyl) sulfate is O=S(=O)(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.
What is the InChIKey of bis(2,2,3,3,3-pentafluoropropyl) sulfate?
The InChIKey is NBJGHDWCTZTEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F10O4S/c7-3(8,5(11,12)13)1-19-21(17,18)20-2-4(9,10)6(14,15)16/h1-2H2.
What are the key properties of bis(2,2,3,3,3-pentafluoropropyl) sulfate?
bis(2,2,3,3,3-pentafluoropropyl) sulfate has a molecular weight of 362.14 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3,3,3-pentafluoropropyl) sulfate is sourced from PubChem (CID 87155073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).