fluoro 1,2,2,3,3-pentafluoropropyl sulfate

C3H2F6O4S — CID 19695010

IUPACfluoro 1,2,2,3,3-pentafluoropropyl sulfate
SMILESO=S(=O)(OF)OC(F)C(F)(F)C(F)F
InChIInChI=1S/C3H2F6O4S/c4-1(5)3(7,8)2(6)12-14(10,11)13-9/h1-2H
InChIKeyAXSHJZXEKAEKDS-UHFFFAOYSA-N
MW248.10 g/mol
LogP1.34
Rot. Bonds5

About fluoro 1,2,2,3,3-pentafluoropropyl sulfate

fluoro 1,2,2,3,3-pentafluoropropyl sulfate (PubChem CID 19695010) has the molecular formula C3H2F6O4S and a molecular weight of 248.10 g/mol. Its IUPAC name is fluoro 1,2,2,3,3-pentafluoropropyl sulfate.

Molecular Properties

Compound Namefluoro 1,2,2,3,3-pentafluoropropyl sulfate
PubChem CID19695010
Molecular FormulaC3H2F6O4S
Molecular Weight248.10 g/mol
Exact Mass247.96
IUPAC Namefluoro 1,2,2,3,3-pentafluoropropyl sulfate
SMILESO=S(=O)(OF)OC(F)C(F)(F)C(F)F
InChIInChI=1S/C3H2F6O4S/c4-1(5)3(7,8)2(6)12-14(10,11)13-9/h1-2H
InChIKeyAXSHJZXEKAEKDS-UHFFFAOYSA-N
XLogP1.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze fluoro 1,2,2,3,3-pentafluoropropyl sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chlorosulfurous acid, 2,2,3,3-tetrafluoropropyl ester
CID 11481313
2,2,2-Trifluoroethyl sulfurofluoridate
CID 12397780
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
1,1,1,2-Tetrafluoro-2-fluorosulfonyloxyethane
CID 174345300
2-Iodo-3,3,3-trifluoropropyl fluosulfate
CID 129812197
(Fluosulfonyloxy)hexafluoropropane
CID 129879034
1,1,1-Trifluoro-3-fluorosulfonyloxypropane
CID 178326877
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 fluoro 1,2,2,3,3-pentafluoropropyl sulfate?
The IUPAC name of fluoro 1,2,2,3,3-pentafluoropropyl sulfate (CID 19695010) is fluoro 1,2,2,3,3-pentafluoropropyl sulfate.
What is the SMILES notation for fluoro 1,2,2,3,3-pentafluoropropyl sulfate?
The canonical SMILES for fluoro 1,2,2,3,3-pentafluoropropyl sulfate is O=S(=O)(OF)OC(F)C(F)(F)C(F)F.
What is the InChIKey of fluoro 1,2,2,3,3-pentafluoropropyl sulfate?
The InChIKey is AXSHJZXEKAEKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O4S/c4-1(5)3(7,8)2(6)12-14(10,11)13-9/h1-2H.
What are the key properties of fluoro 1,2,2,3,3-pentafluoropropyl sulfate?
fluoro 1,2,2,3,3-pentafluoropropyl sulfate has a molecular weight of 248.10 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1,2,2,3,3-pentafluoropropyl sulfate is sourced from PubChem (CID 19695010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).