2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene

C4H2F6O6S2 — CID 10471472

IUPAC2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene
SMILESC=C(C(F)(F)OS(=O)(=O)F)C(F)(F)OS(=O)(=O)F
InChIInChI=1S/C4H2F6O6S2/c1-2(3(5,6)15-17(9,11)12)4(7,8)16-18(10,13)14/h1H2
InChIKeyYTNPKCRYZKSUCU-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.19
Rot. Bonds6

About 2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene

2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene (PubChem CID 10471472) has the molecular formula C4H2F6O6S2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene.

Molecular Properties

Compound Name2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene
PubChem CID10471472
Molecular FormulaC4H2F6O6S2
Molecular Weight324.18 g/mol
Exact Mass323.92
IUPAC Name2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene
SMILESC=C(C(F)(F)OS(=O)(=O)F)C(F)(F)OS(=O)(=O)F
InChIInChI=1S/C4H2F6O6S2/c1-2(3(5,6)15-17(9,11)12)4(7,8)16-18(10,13)14/h1H2
InChIKeyYTNPKCRYZKSUCU-UHFFFAOYSA-N
XLogP1.19
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl] trifluoromethanesulfonate
CID 10685163
1,1,2,2-tetrafluoro-1,2-bis(fluorosulfonyloxy)ethane
CID 12665878
2-fluoro-2-fluorosulfonyloxypropane
CID 88649659
N,N-bis(trifluoromethylsulfonyl)sulfamoyl fluoride
CID 142567075
CID 14687560
CID 14687560
1-fluoroethenyl trifluoromethanesulfonate
CID 87156219
1,1,2,2-tetrafluoro-1-fluorosulfonyloxy-2-nitrosoethane
CID 13024147
1,1,4,4-tetrafluoro-1,4-bis(fluorosulfonyloxy)-2,3-bis(trifluoromethoxy)butane
CID 142755679
1,2-bis(trifluoromethylsulfonyl)ethane
CID 141114696
lithium fluorosulfonyl hypofluorite
CID 22638452
methoxy trifluoromethanesulfonate
CID 87224753
bis(trifluoromethylsulfonyl)azanide;gold(1+)
CID 102109298

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene?
The IUPAC name of 2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene (CID 10471472) is 2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene.
What is the SMILES notation for 2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene?
The canonical SMILES for 2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene is C=C(C(F)(F)OS(=O)(=O)F)C(F)(F)OS(=O)(=O)F.
What is the InChIKey of 2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene?
The InChIKey is YTNPKCRYZKSUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O6S2/c1-2(3(5,6)15-17(9,11)12)4(7,8)16-18(10,13)14/h1H2.
What are the key properties of 2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene?
2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene has a molecular weight of 324.18 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene is sourced from PubChem (CID 10471472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).