ethyl 1,1,2,2,2-pentafluoroethyl sulfate

C4H5F5O4S — CID 87155362

IUPACethyl 1,1,2,2,2-pentafluoroethyl sulfate
SMILESCCOS(=O)(=O)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5O4S/c1-2-12-14(10,11)13-4(8,9)3(5,6)7/h2H2,1H3
InChIKeyMIRNDYPHZJUZSS-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.44
Rot. Bonds4

About ethyl 1,1,2,2,2-pentafluoroethyl sulfate

ethyl 1,1,2,2,2-pentafluoroethyl sulfate (PubChem CID 87155362) has the molecular formula C4H5F5O4S and a molecular weight of 244.14 g/mol. Its IUPAC name is ethyl 1,1,2,2,2-pentafluoroethyl sulfate.

Molecular Properties

Compound Nameethyl 1,1,2,2,2-pentafluoroethyl sulfate
PubChem CID87155362
Molecular FormulaC4H5F5O4S
Molecular Weight244.14 g/mol
Exact Mass243.98
IUPAC Nameethyl 1,1,2,2,2-pentafluoroethyl sulfate
SMILESCCOS(=O)(=O)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5O4S/c1-2-12-14(10,11)13-4(8,9)3(5,6)7/h2H2,1H3
InChIKeyMIRNDYPHZJUZSS-UHFFFAOYSA-N
XLogP1.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1,1,2,2,2-pentafluoroethyl 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

Bis(2,2,2-trifluoroethyl) sulfite
CID 318171
2,2,2-Trifluoroethyl trifluoromethyl sulfate
CID 21270370
Bis(3,3,3-trifluoropropyl) sulfate
CID 87155271
Trifluorovinyl ethyl sulfate
CID 87155642
Vdojtpuptjjwtk-uhfffaoysa-
CID 12603897
Bis(2,2,3,3-tetrafluoropropyl) sulphate
CID 2736068
Bis(2,2,2-trifluoroethyl) sulfate
CID 13360356
Methyl 2,2,2-trifluoroethyl sulfate
CID 13360357
Ethyl 2,2,2-trifluoroethyl sulfate
CID 22001137
Ethyl 1,1,2,2,3,3,4,4,4-nonafluorobutyl sulfate
CID 87154412
1,1,2,2,3,3,3-Heptafluoropropyl 2,2,2-trifluoroethyl sulfate
CID 87154577
Difluoromethyl 2,2,2-trifluoroethyl sulfate
CID 87154581

Frequently Asked Questions

What is the IUPAC name of ethyl 1,1,2,2,2-pentafluoroethyl sulfate?
The IUPAC name of ethyl 1,1,2,2,2-pentafluoroethyl sulfate (CID 87155362) is ethyl 1,1,2,2,2-pentafluoroethyl sulfate.
What is the SMILES notation for ethyl 1,1,2,2,2-pentafluoroethyl sulfate?
The canonical SMILES for ethyl 1,1,2,2,2-pentafluoroethyl sulfate is CCOS(=O)(=O)OC(F)(F)C(F)(F)F.
What is the InChIKey of ethyl 1,1,2,2,2-pentafluoroethyl sulfate?
The InChIKey is MIRNDYPHZJUZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5O4S/c1-2-12-14(10,11)13-4(8,9)3(5,6)7/h2H2,1H3.
What are the key properties of ethyl 1,1,2,2,2-pentafluoroethyl sulfate?
ethyl 1,1,2,2,2-pentafluoroethyl sulfate has a molecular weight of 244.14 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,1,2,2,2-pentafluoroethyl sulfate is sourced from PubChem (CID 87155362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).