3-methyloxane-4-sulfonyl fluoride

C6H11FO3S — CID 165460984

IUPAC3-methyloxane-4-sulfonyl fluoride
SMILESCC1COCCC1S(=O)(=O)F
InChIInChI=1S/C6H11FO3S/c1-5-4-10-3-2-6(5)11(7,8)9/h5-6H,2-4H2,1H3
InChIKeyHCWDPRRZKAQDAM-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.71
Rot. Bonds1

About 3-methyloxane-4-sulfonyl fluoride

3-methyloxane-4-sulfonyl fluoride (PubChem CID 165460984) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-methyloxane-4-sulfonyl fluoride.

Molecular Properties

Compound Name3-methyloxane-4-sulfonyl fluoride
PubChem CID165460984
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Name3-methyloxane-4-sulfonyl fluoride
SMILESCC1COCCC1S(=O)(=O)F
InChIInChI=1S/C6H11FO3S/c1-5-4-10-3-2-6(5)11(7,8)9/h5-6H,2-4H2,1H3
InChIKeyHCWDPRRZKAQDAM-UHFFFAOYSA-N
XLogP0.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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 3-methyloxane-4-sulfonyl fluoride?
The IUPAC name of 3-methyloxane-4-sulfonyl fluoride (CID 165460984) is 3-methyloxane-4-sulfonyl fluoride.
What is the SMILES notation for 3-methyloxane-4-sulfonyl fluoride?
The canonical SMILES for 3-methyloxane-4-sulfonyl fluoride is CC1COCCC1S(=O)(=O)F.
What is the InChIKey of 3-methyloxane-4-sulfonyl fluoride?
The InChIKey is HCWDPRRZKAQDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3S/c1-5-4-10-3-2-6(5)11(7,8)9/h5-6H,2-4H2,1H3.
What are the key properties of 3-methyloxane-4-sulfonyl fluoride?
3-methyloxane-4-sulfonyl fluoride has a molecular weight of 182.22 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxane-4-sulfonyl fluoride is sourced from PubChem (CID 165460984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).