2-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride

C9H17FO3S — CID 115034580

IUPAC2-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride
SMILESCC(C)(CS(=O)(=O)F)C1CCCOC1
InChIInChI=1S/C9H17FO3S/c1-9(2,7-14(10,11)12)8-4-3-5-13-6-8/h8H,3-7H2,1-2H3
InChIKeyKAMAVGVRQJLVRT-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.74
Rot. Bonds3

About 2-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride

2-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride (PubChem CID 115034580) has the molecular formula C9H17FO3S and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride
PubChem CID115034580
Molecular FormulaC9H17FO3S
Molecular Weight224.30 g/mol
Exact Mass224.09
IUPAC Name2-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride
SMILESCC(C)(CS(=O)(=O)F)C1CCCOC1
InChIInChI=1S/C9H17FO3S/c1-9(2,7-14(10,11)12)8-4-3-5-13-6-8/h8H,3-7H2,1-2H3
InChIKeyKAMAVGVRQJLVRT-UHFFFAOYSA-N
XLogP1.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride?
The IUPAC name of 2-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride (CID 115034580) is 2-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride.
What is the SMILES notation for 2-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride?
The canonical SMILES for 2-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride is CC(C)(CS(=O)(=O)F)C1CCCOC1.
What is the InChIKey of 2-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride?
The InChIKey is KAMAVGVRQJLVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO3S/c1-9(2,7-14(10,11)12)8-4-3-5-13-6-8/h8H,3-7H2,1-2H3.
What are the key properties of 2-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride?
2-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride has a molecular weight of 224.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-3-yl)propane-1-sulfonyl fluoride is sourced from PubChem (CID 115034580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).