2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride

C9H17FO3S — CID 90845614

IUPAC2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride
SMILESCC1C2CCC(O2)C1C.CS(=O)(=O)F
InChIInChI=1S/C8H14O.CH3FO2S/c1-5-6(2)8-4-3-7(5)9-8;1-5(2,3)4/h5-8H,3-4H2,1-2H3;1H3
InChIKeyXJGNUOWXKZTYOS-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.74
Rot. Bonds

About 2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride

2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride (PubChem CID 90845614) has the molecular formula C9H17FO3S and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride.

Molecular Properties

Compound Name2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride
PubChem CID90845614
Molecular FormulaC9H17FO3S
Molecular Weight224.30 g/mol
Exact Mass224.09
IUPAC Name2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride
SMILESCC1C2CCC(O2)C1C.CS(=O)(=O)F
InChIInChI=1S/C8H14O.CH3FO2S/c1-5-6(2)8-4-3-7(5)9-8;1-5(2,3)4/h5-8H,3-4H2,1-2H3;1H3
InChIKeyXJGNUOWXKZTYOS-UHFFFAOYSA-N
XLogP1.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride?
The IUPAC name of 2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride (CID 90845614) is 2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride.
What is the SMILES notation for 2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride?
The canonical SMILES for 2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride is CC1C2CCC(O2)C1C.CS(=O)(=O)F.
What is the InChIKey of 2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride?
The InChIKey is XJGNUOWXKZTYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.CH3FO2S/c1-5-6(2)8-4-3-7(5)9-8;1-5(2,3)4/h5-8H,3-4H2,1-2H3;1H3.
What are the key properties of 2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride?
2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride has a molecular weight of 224.30 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-oxabicyclo[2.2.1]heptane;methanesulfonyl fluoride is sourced from PubChem (CID 90845614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).