3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride

C7H12F2O4S — CID 172857985

IUPAC3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride
SMILESC=COCCC(OCCF)S(=O)(=O)F
InChIInChI=1S/C7H12F2O4S/c1-2-12-5-3-7(13-6-4-8)14(9,10)11/h2,7H,1,3-6H2
InChIKeyYYXDEKORUCONSJ-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.15
Rot. Bonds8

About 3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride

3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride (PubChem CID 172857985) has the molecular formula C7H12F2O4S and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride
PubChem CID172857985
Molecular FormulaC7H12F2O4S
Molecular Weight230.23 g/mol
Exact Mass230.04
IUPAC Name3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride
SMILESC=COCCC(OCCF)S(=O)(=O)F
InChIInChI=1S/C7H12F2O4S/c1-2-12-5-3-7(13-6-4-8)14(9,10)11/h2,7H,1,3-6H2
InChIKeyYYXDEKORUCONSJ-UHFFFAOYSA-N
XLogP1.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-Ethenoxypropoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride
CID 17957367
2-(3-Ethenoxypropoxy)ethanesulfonyl fluoride
CID 56625295
4-(1-Fluoroethenoxy)butane-1-sulfonyl fluoride
CID 89137534
3-Ethenoxy-1-ethoxypropane-1-sulfonyl fluoride
CID 123796506
2-(2-Fluorosulfonylethoxy)ethenyl hypofluorite
CID 140565056
3-Ethenoxypropane-1-sulfonyl fluoride
CID 154634401
2-Fluoroethanesulfonyl fluoride;fluoromethanesulfonyl fluoride;fluoromethoxyethene;fluoromethyl hypofluorite
CID 91603376
3-Ethenoxy-1-ethoxypropane-1-sulfonyl fluoride;hydrofluoride
CID 172768497

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride?
The IUPAC name of 3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride (CID 172857985) is 3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride.
What is the SMILES notation for 3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride?
The canonical SMILES for 3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride is C=COCCC(OCCF)S(=O)(=O)F.
What is the InChIKey of 3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride?
The InChIKey is YYXDEKORUCONSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O4S/c1-2-12-5-3-7(13-6-4-8)14(9,10)11/h2,7H,1,3-6H2.
What are the key properties of 3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride?
3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride has a molecular weight of 230.23 g/mol, XLogP of 1.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-1-(2-fluoroethoxy)propane-1-sulfonyl fluoride is sourced from PubChem (CID 172857985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).