trifluoromethyl difluoromethanesulfonate

C2HF5O3S — CID 154354026

IUPACtrifluoromethyl difluoromethanesulfonate
SMILESO=S(=O)(OC(F)(F)F)C(F)F
InChIInChI=1S/C2HF5O3S/c3-1(4)11(8,9)10-2(5,6)7/h1H
InChIKeyTWOGNWLXVUMRFZ-UHFFFAOYSA-N
MW200.08 g/mol
LogP1.08
Rot. Bonds2

About trifluoromethyl difluoromethanesulfonate

trifluoromethyl difluoromethanesulfonate (PubChem CID 154354026) has the molecular formula C2HF5O3S and a molecular weight of 200.08 g/mol. Its IUPAC name is trifluoromethyl difluoromethanesulfonate.

Molecular Properties

Compound Nametrifluoromethyl difluoromethanesulfonate
PubChem CID154354026
Molecular FormulaC2HF5O3S
Molecular Weight200.08 g/mol
Exact Mass199.96
IUPAC Nametrifluoromethyl difluoromethanesulfonate
SMILESO=S(=O)(OC(F)(F)F)C(F)F
InChIInChI=1S/C2HF5O3S/c3-1(4)11(8,9)10-2(5,6)7/h1H
InChIKeyTWOGNWLXVUMRFZ-UHFFFAOYSA-N
XLogP1.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trifluoromethyl difluoromethanesulfonate 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

tert-butyl difluoromethanesulfonate
CID 175837942
cerium;fluoro difluoromethanesulfonate
CID 175560297
magnesium;fluoro difluoromethanesulfonate;hydride
CID 173351279
trifluoromethyl 1,1-difluoroethanesulfonate
CID 174493572
1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate
CID 87660281
sodium;hydride;trifluoromethyl methanesulfonate
CID 174543711
trifluoro(trimethylsilylsulfonyloxy)methane
CID 15145415
2,2,2-trifluoroethyl trifluoromethyl sulfate
CID 21270370
carbamoyl difluoromethanesulfonate
CID 150341859
trifluoromethyl 2-fluoroethanesulfonate
CID 175574783
1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane
CID 142755679
CID 146226075
CID 146226075

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl difluoromethanesulfonate?
The IUPAC name of trifluoromethyl difluoromethanesulfonate (CID 154354026) is trifluoromethyl difluoromethanesulfonate.
What is the SMILES notation for trifluoromethyl difluoromethanesulfonate?
The canonical SMILES for trifluoromethyl difluoromethanesulfonate is O=S(=O)(OC(F)(F)F)C(F)F.
What is the InChIKey of trifluoromethyl difluoromethanesulfonate?
The InChIKey is TWOGNWLXVUMRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF5O3S/c3-1(4)11(8,9)10-2(5,6)7/h1H.
What are the key properties of trifluoromethyl difluoromethanesulfonate?
trifluoromethyl difluoromethanesulfonate has a molecular weight of 200.08 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl difluoromethanesulfonate is sourced from PubChem (CID 154354026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).