[2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride

C4H2F6O5S2 — CID 163527922

IUPAC[2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C1(C(F)(F)S(=O)(=O)F)CO1
InChIInChI=1S/C4H2F6O5S2/c5-3(6,16(9,11)12)2(1-15-2)4(7,8)17(10,13)14/h1H2
InChIKeySNJFWPOKBCWIKE-UHFFFAOYSA-N
MW308.18 g/mol
LogP0.54
Rot. Bonds4

About [2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride

[2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride (PubChem CID 163527922) has the molecular formula C4H2F6O5S2 and a molecular weight of 308.18 g/mol. Its IUPAC name is [2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride.

Molecular Properties

Compound Name[2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride
PubChem CID163527922
Molecular FormulaC4H2F6O5S2
Molecular Weight308.18 g/mol
Exact Mass307.92
IUPAC Name[2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C1(C(F)(F)S(=O)(=O)F)CO1
InChIInChI=1S/C4H2F6O5S2/c5-3(6,16(9,11)12)2(1-15-2)4(7,8)17(10,13)14/h1H2
InChIKeySNJFWPOKBCWIKE-UHFFFAOYSA-N
XLogP0.54
TPSA80.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride 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

lithium;hydride;bis(1,1,2,2-tetrafluoroethane-1,2-disulfonyl fluoride)
CID 173049005
1,1,2,2-tetrafluoro-2-(2,3,3-trifluorooxiran-2-yl)ethanesulfonyl fluoride
CID 169224044
1,1,2,2-tetrafluoro-2-iodoethanesulfonyl fluoride
CID 19898065
azane;trifluoromethanesulfonyl chloride
CID 87630754
fluoro(phenyl)methanedisulfonyl fluoride
CID 170192333
2,2-difluorooxirane
CID 19829575
2-[fluoro-[fluoro-nitro-(2-nitrooxiran-2-yl)methoxy]-nitromethyl]-2-nitrooxirane
CID 19025140
2-[difluoro-(2,3,3-trifluorooxiran-2-yl)methoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride
CID 20502261
1,1,2,2-tetrafluoro-2-fluorosulfonylethanesulfonic acid
CID 15135176
(3-fluorooxetan-3-yl)methyl trifluoromethanesulfonate
CID 131965003
1,1,2,2-tetrafluoro-1,2-bis(fluorosulfonyloxy)ethane
CID 12665878
2-fluoro-2-fluorosulfonylpropanoic acid
CID 139448801

Frequently Asked Questions

What is the IUPAC name of [2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride?
The IUPAC name of [2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride (CID 163527922) is [2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride.
What is the SMILES notation for [2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride?
The canonical SMILES for [2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C1(C(F)(F)S(=O)(=O)F)CO1.
What is the InChIKey of [2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride?
The InChIKey is SNJFWPOKBCWIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O5S2/c5-3(6,16(9,11)12)2(1-15-2)4(7,8)17(10,13)14/h1H2.
What are the key properties of [2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride?
[2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride has a molecular weight of 308.18 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[difluoro(fluorosulfonyl)methyl]oxiran-2-yl]-difluoromethanesulfonyl fluoride is sourced from PubChem (CID 163527922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).