2-propan-2-yloxyethanesulfonyl fluoride

C5H11FO3S — CID 22420418

IUPAC2-propan-2-yloxyethanesulfonyl fluoride
SMILESCC(C)OCCS(=O)(=O)F
InChIInChI=1S/C5H11FO3S/c1-5(2)9-3-4-10(6,7)8/h5H,3-4H2,1-2H3
InChIKeyYOJHWSBTXQFYKT-UHFFFAOYSA-N
MW170.20 g/mol
LogP0.71
Rot. Bonds4

About 2-propan-2-yloxyethanesulfonyl fluoride

2-propan-2-yloxyethanesulfonyl fluoride (PubChem CID 22420418) has the molecular formula C5H11FO3S and a molecular weight of 170.20 g/mol. Its IUPAC name is 2-propan-2-yloxyethanesulfonyl fluoride.

Molecular Properties

Compound Name2-propan-2-yloxyethanesulfonyl fluoride
PubChem CID22420418
Molecular FormulaC5H11FO3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name2-propan-2-yloxyethanesulfonyl fluoride
SMILESCC(C)OCCS(=O)(=O)F
InChIInChI=1S/C5H11FO3S/c1-5(2)9-3-4-10(6,7)8/h5H,3-4H2,1-2H3
InChIKeyYOJHWSBTXQFYKT-UHFFFAOYSA-N
XLogP0.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethanesulfonyl fluoride?
The IUPAC name of 2-propan-2-yloxyethanesulfonyl fluoride (CID 22420418) is 2-propan-2-yloxyethanesulfonyl fluoride.
What is the SMILES notation for 2-propan-2-yloxyethanesulfonyl fluoride?
The canonical SMILES for 2-propan-2-yloxyethanesulfonyl fluoride is CC(C)OCCS(=O)(=O)F.
What is the InChIKey of 2-propan-2-yloxyethanesulfonyl fluoride?
The InChIKey is YOJHWSBTXQFYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO3S/c1-5(2)9-3-4-10(6,7)8/h5H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yloxyethanesulfonyl fluoride?
2-propan-2-yloxyethanesulfonyl fluoride has a molecular weight of 170.20 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethanesulfonyl fluoride is sourced from PubChem (CID 22420418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).