oxolan-3-ylmethanesulfonyl fluoride

C5H9FO3S — CID 50989451

IUPACoxolan-3-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CCOC1
InChIInChI=1S/C5H9FO3S/c6-10(7,8)4-5-1-2-9-3-5/h5H,1-4H2
InChIKeyMYVHNJXPKIQJAF-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.32
Rot. Bonds2

About oxolan-3-ylmethanesulfonyl fluoride

oxolan-3-ylmethanesulfonyl fluoride (PubChem CID 50989451) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is oxolan-3-ylmethanesulfonyl fluoride.

Molecular Properties

Compound Nameoxolan-3-ylmethanesulfonyl fluoride
PubChem CID50989451
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Nameoxolan-3-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CCOC1
InChIInChI=1S/C5H9FO3S/c6-10(7,8)4-5-1-2-9-3-5/h5H,1-4H2
InChIKeyMYVHNJXPKIQJAF-UHFFFAOYSA-N
XLogP0.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethanesulfonyl fluoride?
The IUPAC name of oxolan-3-ylmethanesulfonyl fluoride (CID 50989451) is oxolan-3-ylmethanesulfonyl fluoride.
What is the SMILES notation for oxolan-3-ylmethanesulfonyl fluoride?
The canonical SMILES for oxolan-3-ylmethanesulfonyl fluoride is O=S(=O)(F)CC1CCOC1.
What is the InChIKey of oxolan-3-ylmethanesulfonyl fluoride?
The InChIKey is MYVHNJXPKIQJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3S/c6-10(7,8)4-5-1-2-9-3-5/h5H,1-4H2.
What are the key properties of oxolan-3-ylmethanesulfonyl fluoride?
oxolan-3-ylmethanesulfonyl fluoride has a molecular weight of 168.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethanesulfonyl fluoride is sourced from PubChem (CID 50989451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).