3-(oxolan-3-yl)propane-1-sulfonyl fluoride

C7H13FO3S — CID 165459360

IUPAC3-(oxolan-3-yl)propane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCC1CCOC1
InChIInChI=1S/C7H13FO3S/c8-12(9,10)5-1-2-7-3-4-11-6-7/h7H,1-6H2
InChIKeyQPYMOSTUHCEXLK-UHFFFAOYSA-N
MW196.24 g/mol
LogP1.10
Rot. Bonds4

About 3-(oxolan-3-yl)propane-1-sulfonyl fluoride

3-(oxolan-3-yl)propane-1-sulfonyl fluoride (PubChem CID 165459360) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 3-(oxolan-3-yl)propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-(oxolan-3-yl)propane-1-sulfonyl fluoride
PubChem CID165459360
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name3-(oxolan-3-yl)propane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCC1CCOC1
InChIInChI=1S/C7H13FO3S/c8-12(9,10)5-1-2-7-3-4-11-6-7/h7H,1-6H2
InChIKeyQPYMOSTUHCEXLK-UHFFFAOYSA-N
XLogP1.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Furanmethanesulfonyl fluoride, tetrahydro-
CID 50989451
2-(Cyclopentylmethoxy)ethane-1-sulfonyl chloride
CID 66324010
3-(Oxolan-3-yl)propane-1-sulfonyl chloride
CID 122163366
[(3R)-oxolan-3-yl]methanesulfonyl fluoride
CID 98124118
[(3S)-oxolan-3-yl]methanesulfonyl fluoride
CID 98124119
2-Fluoro-2-(oxolan-3-yl)ethane-1-sulfonyl chloride
CID 126849343
2-(Cyclopentylmethoxy)ethane-1-sulfonyl fluoride
CID 137949148
4-(Propan-2-yl)oxolane-3-sulfonyl fluoride
CID 165485961
1-(Oxolan-3-yl)propane-1-sulfonyl fluoride
CID 165502126
5-(Propan-2-yl)oxolane-3-sulfonyl fluoride
CID 165505566
4-(2-Methylpropyl)oxolane-3-sulfonyl fluoride
CID 165505827
1-(Oxolan-3-yl)propane-2-sulfonyl fluoride
CID 165520751

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)propane-1-sulfonyl fluoride?
The IUPAC name of 3-(oxolan-3-yl)propane-1-sulfonyl fluoride (CID 165459360) is 3-(oxolan-3-yl)propane-1-sulfonyl fluoride.
What is the SMILES notation for 3-(oxolan-3-yl)propane-1-sulfonyl fluoride?
The canonical SMILES for 3-(oxolan-3-yl)propane-1-sulfonyl fluoride is O=S(=O)(F)CCCC1CCOC1.
What is the InChIKey of 3-(oxolan-3-yl)propane-1-sulfonyl fluoride?
The InChIKey is QPYMOSTUHCEXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c8-12(9,10)5-1-2-7-3-4-11-6-7/h7H,1-6H2.
What are the key properties of 3-(oxolan-3-yl)propane-1-sulfonyl fluoride?
3-(oxolan-3-yl)propane-1-sulfonyl fluoride has a molecular weight of 196.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)propane-1-sulfonyl fluoride is sourced from PubChem (CID 165459360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).