1,3,3,3-tetrafluoropropyl hydrogen sulfate

C3H4F4O4S — CID 87624400

IUPAC1,3,3,3-tetrafluoropropyl hydrogen sulfate
SMILESO=S(=O)(O)OC(F)CC(F)(F)F
InChIInChI=1S/C3H4F4O4S/c4-2(1-3(5,6)7)11-12(8,9)10/h2H,1H2,(H,8,9,10)
InChIKeyRHXNBNCSZBWDGL-UHFFFAOYSA-N
MW212.12 g/mol
LogP1.05
Rot. Bonds3

About 1,3,3,3-tetrafluoropropyl hydrogen sulfate

1,3,3,3-tetrafluoropropyl hydrogen sulfate (PubChem CID 87624400) has the molecular formula C3H4F4O4S and a molecular weight of 212.12 g/mol. Its IUPAC name is 1,3,3,3-tetrafluoropropyl hydrogen sulfate.

Molecular Properties

Compound Name1,3,3,3-tetrafluoropropyl hydrogen sulfate
PubChem CID87624400
Molecular FormulaC3H4F4O4S
Molecular Weight212.12 g/mol
Exact Mass211.98
IUPAC Name1,3,3,3-tetrafluoropropyl hydrogen sulfate
SMILESO=S(=O)(O)OC(F)CC(F)(F)F
InChIInChI=1S/C3H4F4O4S/c4-2(1-3(5,6)7)11-12(8,9)10/h2H,1H2,(H,8,9,10)
InChIKeyRHXNBNCSZBWDGL-UHFFFAOYSA-N
XLogP1.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoropropyl hydrogen sulfate
CID 157410
mHPFSO4 n=2
CID 139595568
2,2,3,3,4,4,5,5-Octafluoropentylsulfate
CID 11525234
2:2 Fluorotelomer alcohol sulfate
CID 162396676
4,4,5,5,5-Pentafluoropentyl hydrogen sulfate
CID 86233917
2,2,3,3-Tetrafluoropropyl hydrogen sulfate
CID 12650402
2,2-Difluoroethyl hydrogen sulfate
CID 118676364
Bis(2,2,3,3-tetrafluoropropyl) sulphate
CID 2736068
3,3,3-Trifluoropropyl hydrogen sulfite
CID 17910025
2,2,3,3,3-Pentafluoropropyl hydrogen sulfite
CID 17910096
Fluoro 1,2,2,3,3-pentafluoropropyl sulfate
CID 19695010
1,2,2-Trifluoroethyl hydrogen sulfate
CID 23283868

Frequently Asked Questions

What is the IUPAC name of 1,3,3,3-tetrafluoropropyl hydrogen sulfate?
The IUPAC name of 1,3,3,3-tetrafluoropropyl hydrogen sulfate (CID 87624400) is 1,3,3,3-tetrafluoropropyl hydrogen sulfate.
What is the SMILES notation for 1,3,3,3-tetrafluoropropyl hydrogen sulfate?
The canonical SMILES for 1,3,3,3-tetrafluoropropyl hydrogen sulfate is O=S(=O)(O)OC(F)CC(F)(F)F.
What is the InChIKey of 1,3,3,3-tetrafluoropropyl hydrogen sulfate?
The InChIKey is RHXNBNCSZBWDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O4S/c4-2(1-3(5,6)7)11-12(8,9)10/h2H,1H2,(H,8,9,10).
What are the key properties of 1,3,3,3-tetrafluoropropyl hydrogen sulfate?
1,3,3,3-tetrafluoropropyl hydrogen sulfate has a molecular weight of 212.12 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,3-tetrafluoropropyl hydrogen sulfate is sourced from PubChem (CID 87624400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).