(3-methyloxetan-3-yl)methanesulfonyl fluoride

C5H9FO3S — CID 131165678

IUPAC(3-methyloxetan-3-yl)methanesulfonyl fluoride
SMILESCC1(CS(=O)(=O)F)COC1
InChIInChI=1S/C5H9FO3S/c1-5(2-9-3-5)4-10(6,7)8/h2-4H2,1H3
InChIKeyUUFYPSGVABTINU-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.32
Rot. Bonds2

About (3-methyloxetan-3-yl)methanesulfonyl fluoride

(3-methyloxetan-3-yl)methanesulfonyl fluoride (PubChem CID 131165678) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methanesulfonyl fluoride
PubChem CID131165678
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name(3-methyloxetan-3-yl)methanesulfonyl fluoride
SMILESCC1(CS(=O)(=O)F)COC1
InChIInChI=1S/C5H9FO3S/c1-5(2-9-3-5)4-10(6,7)8/h2-4H2,1H3
InChIKeyUUFYPSGVABTINU-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 (3-methyloxetan-3-yl)methanesulfonyl fluoride?
The IUPAC name of (3-methyloxetan-3-yl)methanesulfonyl fluoride (CID 131165678) is (3-methyloxetan-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (3-methyloxetan-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (3-methyloxetan-3-yl)methanesulfonyl fluoride is CC1(CS(=O)(=O)F)COC1.
What is the InChIKey of (3-methyloxetan-3-yl)methanesulfonyl fluoride?
The InChIKey is UUFYPSGVABTINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3S/c1-5(2-9-3-5)4-10(6,7)8/h2-4H2,1H3.
What are the key properties of (3-methyloxetan-3-yl)methanesulfonyl fluoride?
(3-methyloxetan-3-yl)methanesulfonyl 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 (3-methyloxetan-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 131165678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).