oxolan-2-ylmethanesulfonyl fluoride

C5H9FO3S — CID 122236584

IUPACoxolan-2-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CCCO1
InChIInChI=1S/C5H9FO3S/c6-10(7,8)4-5-2-1-3-9-5/h5H,1-4H2
InChIKeyAYLTULXOGTXQSU-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.46
Rot. Bonds2

About oxolan-2-ylmethanesulfonyl fluoride

oxolan-2-ylmethanesulfonyl fluoride (PubChem CID 122236584) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is oxolan-2-ylmethanesulfonyl fluoride.

Molecular Properties

Compound Nameoxolan-2-ylmethanesulfonyl fluoride
PubChem CID122236584
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Nameoxolan-2-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CCCO1
InChIInChI=1S/C5H9FO3S/c6-10(7,8)4-5-2-1-3-9-5/h5H,1-4H2
InChIKeyAYLTULXOGTXQSU-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxolan-2-ylmethanesulfonyl chloride
CID 22636887
Oxolan-2-ylmethanesulfonamide
CID 61064069
2-(Oxolan-2-yl)ethane-1-sulfonyl chloride
CID 65158435
rac-(2R,3R)-2-methyloxolane-3-sulfonyl chloride
CID 98113531
(5-(Trifluoromethyl)oxolan-2-yl)methanesulfonyl chloride
CID 132327790
2-(Oxolan-2-yl)ethane-1-sulfonyl fluoride
CID 154575248
5-Methyloxolane-3-sulfonyl chloride
CID 165446323
Methyl oxolan-2-ylmethanesulfonate
CID 53744960
[(2R)-oxolan-2-yl]methanesulfonyl fluoride
CID 124870712
[(2S)-oxolan-2-yl]methanesulfonyl fluoride
CID 124870713
[5-(Trifluoromethyl)oxolan-2-yl]methanesulfonyl fluoride
CID 137945791
Oxolane-3-sulfonyl fluoride
CID 154578266

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethanesulfonyl fluoride?
The IUPAC name of oxolan-2-ylmethanesulfonyl fluoride (CID 122236584) is oxolan-2-ylmethanesulfonyl fluoride.
What is the SMILES notation for oxolan-2-ylmethanesulfonyl fluoride?
The canonical SMILES for oxolan-2-ylmethanesulfonyl fluoride is O=S(=O)(F)CC1CCCO1.
What is the InChIKey of oxolan-2-ylmethanesulfonyl fluoride?
The InChIKey is AYLTULXOGTXQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3S/c6-10(7,8)4-5-2-1-3-9-5/h5H,1-4H2.
What are the key properties of oxolan-2-ylmethanesulfonyl fluoride?
oxolan-2-ylmethanesulfonyl fluoride has a molecular weight of 168.19 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethanesulfonyl fluoride is sourced from PubChem (CID 122236584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).