1-(2-propoxypropoxy)ethanesulfonyl fluoride

C8H17FO4S — CID 154094011

IUPAC1-(2-propoxypropoxy)ethanesulfonyl fluoride
SMILESCCCOC(C)COC(C)S(=O)(=O)F
InChIInChI=1S/C8H17FO4S/c1-4-5-12-7(2)6-13-8(3)14(9,10)11/h7-8H,4-6H2,1-3H3
InChIKeyWGLKOIUABYKXTI-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.46
Rot. Bonds7

About 1-(2-propoxypropoxy)ethanesulfonyl fluoride

1-(2-propoxypropoxy)ethanesulfonyl fluoride (PubChem CID 154094011) has the molecular formula C8H17FO4S and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-(2-propoxypropoxy)ethanesulfonyl fluoride.

Molecular Properties

Compound Name1-(2-propoxypropoxy)ethanesulfonyl fluoride
PubChem CID154094011
Molecular FormulaC8H17FO4S
Molecular Weight228.28 g/mol
Exact Mass228.08
IUPAC Name1-(2-propoxypropoxy)ethanesulfonyl fluoride
SMILESCCCOC(C)COC(C)S(=O)(=O)F
InChIInChI=1S/C8H17FO4S/c1-4-5-12-7(2)6-13-8(3)14(9,10)11/h7-8H,4-6H2,1-3H3
InChIKeyWGLKOIUABYKXTI-UHFFFAOYSA-N
XLogP1.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
acetic acid;1-methoxy-2-propoxypropane
CID 159297729
2-methoxy-1-(2-propoxypropoxy)propane
CID 174155722
1-(2-propoxypropoxy)pentane
CID 22002926
2-(1-propoxypropan-2-yloxy)ethanol
CID 59676189
CID 123186156
CID 123186156
5-propoxyhexanal
CID 57004791
2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol
CID 57495087
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 57074955
(2R,3R)-2,3-dipropoxybutane
CID 118445331
propyl 3-propoxybutanoate
CID 175273522

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxypropoxy)ethanesulfonyl fluoride?
The IUPAC name of 1-(2-propoxypropoxy)ethanesulfonyl fluoride (CID 154094011) is 1-(2-propoxypropoxy)ethanesulfonyl fluoride.
What is the SMILES notation for 1-(2-propoxypropoxy)ethanesulfonyl fluoride?
The canonical SMILES for 1-(2-propoxypropoxy)ethanesulfonyl fluoride is CCCOC(C)COC(C)S(=O)(=O)F.
What is the InChIKey of 1-(2-propoxypropoxy)ethanesulfonyl fluoride?
The InChIKey is WGLKOIUABYKXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO4S/c1-4-5-12-7(2)6-13-8(3)14(9,10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(2-propoxypropoxy)ethanesulfonyl fluoride?
1-(2-propoxypropoxy)ethanesulfonyl fluoride has a molecular weight of 228.28 g/mol, XLogP of 1.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxypropoxy)ethanesulfonyl fluoride is sourced from PubChem (CID 154094011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).