oxan-3-ylmethanesulfonyl fluoride

C6H11FO3S — CID 115016119

IUPACoxan-3-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CCCOC1
InChIInChI=1S/C6H11FO3S/c7-11(8,9)5-6-2-1-3-10-4-6/h6H,1-5H2
InChIKeyNUSUWVDPSMVDLB-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.71
Rot. Bonds2

About oxan-3-ylmethanesulfonyl fluoride

oxan-3-ylmethanesulfonyl fluoride (PubChem CID 115016119) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is oxan-3-ylmethanesulfonyl fluoride.

Molecular Properties

Compound Nameoxan-3-ylmethanesulfonyl fluoride
PubChem CID115016119
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Nameoxan-3-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CCCOC1
InChIInChI=1S/C6H11FO3S/c7-11(8,9)5-6-2-1-3-10-4-6/h6H,1-5H2
InChIKeyNUSUWVDPSMVDLB-UHFFFAOYSA-N
XLogP0.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-3-ylmethanesulfonyl fluoride?
The IUPAC name of oxan-3-ylmethanesulfonyl fluoride (CID 115016119) is oxan-3-ylmethanesulfonyl fluoride.
What is the SMILES notation for oxan-3-ylmethanesulfonyl fluoride?
The canonical SMILES for oxan-3-ylmethanesulfonyl fluoride is O=S(=O)(F)CC1CCCOC1.
What is the InChIKey of oxan-3-ylmethanesulfonyl fluoride?
The InChIKey is NUSUWVDPSMVDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3S/c7-11(8,9)5-6-2-1-3-10-4-6/h6H,1-5H2.
What are the key properties of oxan-3-ylmethanesulfonyl fluoride?
oxan-3-ylmethanesulfonyl fluoride has a molecular weight of 182.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-ylmethanesulfonyl fluoride is sourced from PubChem (CID 115016119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).