2-methyloxolane-3-sulfonyl fluoride

C5H9FO3S — CID 165460627

IUPAC2-methyloxolane-3-sulfonyl fluoride
SMILESCC1OCCC1S(=O)(=O)F
InChIInChI=1S/C5H9FO3S/c1-4-5(2-3-9-4)10(6,7)8/h4-5H,2-3H2,1H3
InChIKeyLLOXCVOCDBNYDZ-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.46
Rot. Bonds1

About 2-methyloxolane-3-sulfonyl fluoride

2-methyloxolane-3-sulfonyl fluoride (PubChem CID 165460627) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-methyloxolane-3-sulfonyl fluoride.

Molecular Properties

Compound Name2-methyloxolane-3-sulfonyl fluoride
PubChem CID165460627
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name2-methyloxolane-3-sulfonyl fluoride
SMILESCC1OCCC1S(=O)(=O)F
InChIInChI=1S/C5H9FO3S/c1-4-5(2-3-9-4)10(6,7)8/h4-5H,2-3H2,1H3
InChIKeyLLOXCVOCDBNYDZ-UHFFFAOYSA-N
XLogP0.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

(2R,3S)-2-methyloxolane-3-sulfonyl chloride
CID 98113530
3-(chloromethylsulfonyl)-2-methyloxolane
CID 107746968
3-ethenylsulfonyl-2-methyloxolane
CID 107746971
2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
CID 107756995
N-ethyl-N,2-dimethyloxolane-3-sulfonamide
CID 130637229
3-(3-chloropropylsulfonyl)-2-methyloxolane
CID 107746967
4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine
CID 107758142
3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane
CID 107764097
4-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
CID 107756941
N-(cyanomethyl)-2-methyloxolane-3-sulfonamide
CID 130689692
3-(2-methyloxolan-3-yl)sulfonyloxan-4-amine
CID 107758120
N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine
CID 107758086

Frequently Asked Questions

What is the IUPAC name of 2-methyloxolane-3-sulfonyl fluoride?
The IUPAC name of 2-methyloxolane-3-sulfonyl fluoride (CID 165460627) is 2-methyloxolane-3-sulfonyl fluoride.
What is the SMILES notation for 2-methyloxolane-3-sulfonyl fluoride?
The canonical SMILES for 2-methyloxolane-3-sulfonyl fluoride is CC1OCCC1S(=O)(=O)F.
What is the InChIKey of 2-methyloxolane-3-sulfonyl fluoride?
The InChIKey is LLOXCVOCDBNYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3S/c1-4-5(2-3-9-4)10(6,7)8/h4-5H,2-3H2,1H3.
What are the key properties of 2-methyloxolane-3-sulfonyl fluoride?
2-methyloxolane-3-sulfonyl fluoride has a molecular weight of 168.19 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxolane-3-sulfonyl fluoride is sourced from PubChem (CID 165460627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).