1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride

C5H7F5O3S — CID 18400465

IUPAC1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride
SMILESCCCOC(F)(C(F)(F)F)S(=O)(=O)F
InChIInChI=1S/C5H7F5O3S/c1-2-3-13-5(9,4(6,7)8)14(10,11)12/h2-3H2,1H3
InChIKeyOFWSQASQONLASG-UHFFFAOYSA-N
MW242.16 g/mol
LogP1.90
Rot. Bonds4

About 1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride

1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride (PubChem CID 18400465) has the molecular formula C5H7F5O3S and a molecular weight of 242.16 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride
PubChem CID18400465
Molecular FormulaC5H7F5O3S
Molecular Weight242.16 g/mol
Exact Mass242.00
IUPAC Name1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride
SMILESCCCOC(F)(C(F)(F)F)S(=O)(=O)F
InChIInChI=1S/C5H7F5O3S/c1-2-3-13-5(9,4(6,7)8)14(10,11)12/h2-3H2,1H3
InChIKeyOFWSQASQONLASG-UHFFFAOYSA-N
XLogP1.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 22450708
2,3,3,3-tetrafluoro-2-propoxypropanoic acid;hydrochloride
CID 88623979
1,1,1,2,2,3,3,5,5,5-decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane
CID 87689733
2-(methylsulfonylmethoxy)-2-propoxypropane
CID 129117784
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-propoxy-2-(trifluoromethyl)octane
CID 135287934
bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane
CID 158390889
1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane
CID 175046926
1-(1,1-dipropoxyethoxy)propane
CID 21433420
1-ethoxysulfonylsulfonyloxypropane
CID 90767531
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane
CID 58957484
2-propoxyethyl trifluoromethanesulfonate
CID 106509992

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride?
The IUPAC name of 1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride (CID 18400465) is 1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride.
What is the SMILES notation for 1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride?
The canonical SMILES for 1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride is CCCOC(F)(C(F)(F)F)S(=O)(=O)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride?
The InChIKey is OFWSQASQONLASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5O3S/c1-2-3-13-5(9,4(6,7)8)14(10,11)12/h2-3H2,1H3.
What are the key properties of 1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride?
1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride has a molecular weight of 242.16 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride is sourced from PubChem (CID 18400465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).