2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride

C7H13FO3S — CID 165452671

IUPAC2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride
SMILESCCOCC1(C)CC1S(=O)(=O)F
InChIInChI=1S/C7H13FO3S/c1-3-11-5-7(2)4-6(7)12(8,9)10/h6H,3-5H2,1-2H3
InChIKeyFJIPUPUYVVMZMI-UHFFFAOYSA-N
MW196.24 g/mol
LogP1.10
Rot. Bonds4

About 2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride

2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride (PubChem CID 165452671) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride
PubChem CID165452671
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride
SMILESCCOCC1(C)CC1S(=O)(=O)F
InChIInChI=1S/C7H13FO3S/c1-3-11-5-7(2)4-6(7)12(8,9)10/h6H,3-5H2,1-2H3
InChIKeyFJIPUPUYVVMZMI-UHFFFAOYSA-N
XLogP1.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride?
The IUPAC name of 2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride (CID 165452671) is 2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride.
What is the SMILES notation for 2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride?
The canonical SMILES for 2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride is CCOCC1(C)CC1S(=O)(=O)F.
What is the InChIKey of 2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride?
The InChIKey is FJIPUPUYVVMZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c1-3-11-5-7(2)4-6(7)12(8,9)10/h6H,3-5H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride?
2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride has a molecular weight of 196.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-2-methylcyclopropane-1-sulfonyl fluoride is sourced from PubChem (CID 165452671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).