(2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate

C5H4ClF3O4S — CID 123215032

IUPAC(2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCC(F)(F)S(=O)(=O)Cl
InChIInChI=1S/C5H4ClF3O4S/c1-3(7)4(10)13-2-5(8,9)14(6,11)12/h1-2H2
InChIKeyGNRZGRJMHHSZTA-UHFFFAOYSA-N
MW252.60 g/mol
LogP1.17
Rot. Bonds4

About (2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate

(2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate (PubChem CID 123215032) has the molecular formula C5H4ClF3O4S and a molecular weight of 252.60 g/mol. Its IUPAC name is (2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name(2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate
PubChem CID123215032
Molecular FormulaC5H4ClF3O4S
Molecular Weight252.60 g/mol
Exact Mass251.95
IUPAC Name(2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCC(F)(F)S(=O)(=O)Cl
InChIInChI=1S/C5H4ClF3O4S/c1-3(7)4(10)13-2-5(8,9)14(6,11)12/h1-2H2
InChIKeyGNRZGRJMHHSZTA-UHFFFAOYSA-N
XLogP1.17
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.60
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,1-difluoro-2-[2-(2-fluoroprop-2-enoyloxy)acetyl]oxyethanesulfonic acid
CID 58352275
1,1-difluoro-2-[3-(2-fluoroprop-2-enoyloxy)-2,2-dimethylpropanoyl]oxyethanesulfonate
CID 58352355
[2,2-dimethyl-4-(trifluoromethylsulfonylamino)butyl] 2-fluoroprop-2-enoate
CID 134463296
1,1-difluoro-2-[6-(2-fluoroprop-2-enoyloxy)hexanoyloxy]ethanesulfonate
CID 58352339
1,1-difluoro-2-[3-(2-fluoroprop-2-enoyloxy)butanoyloxy]ethanesulfonate
CID 58352371
1,1-difluoro-2-[3-(2-fluoroprop-2-enoyloxy)-3-methylbutanoyl]oxyethanesulfonate
CID 58352359
2,2,2-trifluoroethyl 3-deuterio-2-fluoroprop-2-enoate
CID 88506207
1,1-difluoro-2-hydroxyethanesulfonyl chloride
CID 58288757
CID 175995571
CID 175995571
disodium;1,1-difluoro-2-hydroxyethanesulfonate;1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate;2-methylprop-2-enoyl chloride
CID 158266596
1,1-difluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoyloxy]ethanesulfonic acid
CID 90328379
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 2-chloroprop-2-enoate
CID 139939074

Frequently Asked Questions

What is the IUPAC name of (2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate?
The IUPAC name of (2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate (CID 123215032) is (2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate.
What is the SMILES notation for (2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate?
The canonical SMILES for (2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate is C=C(F)C(=O)OCC(F)(F)S(=O)(=O)Cl.
What is the InChIKey of (2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate?
The InChIKey is GNRZGRJMHHSZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3O4S/c1-3(7)4(10)13-2-5(8,9)14(6,11)12/h1-2H2.
What are the key properties of (2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate?
(2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate has a molecular weight of 252.60 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorosulfonyl-2,2-difluoroethyl) 2-fluoroprop-2-enoate is sourced from PubChem (CID 123215032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).