fluoromethyl fluoromethanesulfonate

C2H4F2O3S — CID 19797724

IUPACfluoromethyl fluoromethanesulfonate
SMILESO=S(=O)(CF)OCF
InChIInChI=1S/C2H4F2O3S/c3-1-7-8(5,6)2-4/h1-2H2
InChIKeyBJFGHFJLBJCUIO-UHFFFAOYSA-N
MW146.11 g/mol
LogP0.19
Rot. Bonds3

About fluoromethyl fluoromethanesulfonate

fluoromethyl fluoromethanesulfonate (PubChem CID 19797724) has the molecular formula C2H4F2O3S and a molecular weight of 146.11 g/mol. Its IUPAC name is fluoromethyl fluoromethanesulfonate.

Molecular Properties

Compound Namefluoromethyl fluoromethanesulfonate
PubChem CID19797724
Molecular FormulaC2H4F2O3S
Molecular Weight146.11 g/mol
Exact Mass145.98
IUPAC Namefluoromethyl fluoromethanesulfonate
SMILESO=S(=O)(CF)OCF
InChIInChI=1S/C2H4F2O3S/c3-1-7-8(5,6)2-4/h1-2H2
InChIKeyBJFGHFJLBJCUIO-UHFFFAOYSA-N
XLogP0.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.11
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze fluoromethyl fluoromethanesulfonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoromethyl fluoromethanesulfonate?
The IUPAC name of fluoromethyl fluoromethanesulfonate (CID 19797724) is fluoromethyl fluoromethanesulfonate.
What is the SMILES notation for fluoromethyl fluoromethanesulfonate?
The canonical SMILES for fluoromethyl fluoromethanesulfonate is O=S(=O)(CF)OCF.
What is the InChIKey of fluoromethyl fluoromethanesulfonate?
The InChIKey is BJFGHFJLBJCUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2O3S/c3-1-7-8(5,6)2-4/h1-2H2.
What are the key properties of fluoromethyl fluoromethanesulfonate?
fluoromethyl fluoromethanesulfonate has a molecular weight of 146.11 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl fluoromethanesulfonate is sourced from PubChem (CID 19797724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).