3-methoxy-2-methylpropane-1-sulfonyl fluoride

C5H11FO3S — CID 165460562

IUPAC3-methoxy-2-methylpropane-1-sulfonyl fluoride
SMILESCOCC(C)CS(=O)(=O)F
InChIInChI=1S/C5H11FO3S/c1-5(3-9-2)4-10(6,7)8/h5H,3-4H2,1-2H3
InChIKeySMCJGNSNDFCNAG-UHFFFAOYSA-N
MW170.20 g/mol
LogP0.57
Rot. Bonds4

About 3-methoxy-2-methylpropane-1-sulfonyl fluoride

3-methoxy-2-methylpropane-1-sulfonyl fluoride (PubChem CID 165460562) has the molecular formula C5H11FO3S and a molecular weight of 170.20 g/mol. Its IUPAC name is 3-methoxy-2-methylpropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-methoxy-2-methylpropane-1-sulfonyl fluoride
PubChem CID165460562
Molecular FormulaC5H11FO3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name3-methoxy-2-methylpropane-1-sulfonyl fluoride
SMILESCOCC(C)CS(=O)(=O)F
InChIInChI=1S/C5H11FO3S/c1-5(3-9-2)4-10(6,7)8/h5H,3-4H2,1-2H3
InChIKeySMCJGNSNDFCNAG-UHFFFAOYSA-N
XLogP0.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylpropane-1-sulfonyl fluoride?
The IUPAC name of 3-methoxy-2-methylpropane-1-sulfonyl fluoride (CID 165460562) is 3-methoxy-2-methylpropane-1-sulfonyl fluoride.
What is the SMILES notation for 3-methoxy-2-methylpropane-1-sulfonyl fluoride?
The canonical SMILES for 3-methoxy-2-methylpropane-1-sulfonyl fluoride is COCC(C)CS(=O)(=O)F.
What is the InChIKey of 3-methoxy-2-methylpropane-1-sulfonyl fluoride?
The InChIKey is SMCJGNSNDFCNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO3S/c1-5(3-9-2)4-10(6,7)8/h5H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-2-methylpropane-1-sulfonyl fluoride?
3-methoxy-2-methylpropane-1-sulfonyl fluoride has a molecular weight of 170.20 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylpropane-1-sulfonyl fluoride is sourced from PubChem (CID 165460562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).