methyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate

C9H15FO5S2 — CID 175185535

IUPACmethyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate
SMILESCOS(=O)(=O)CC1(S(=O)(=O)C2(CF)CC2)CC1
InChIInChI=1S/C9H15FO5S2/c1-15-16(11,12)7-9(4-5-9)17(13,14)8(6-10)2-3-8/h2-7H2,1H3
InChIKeyICQSZVMDZLWBRW-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.41
Rot. Bonds6

About methyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate

methyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate (PubChem CID 175185535) has the molecular formula C9H15FO5S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate.

Molecular Properties

Compound Namemethyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate
PubChem CID175185535
Molecular FormulaC9H15FO5S2
Molecular Weight286.35 g/mol
Exact Mass286.03
IUPAC Namemethyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate
SMILESCOS(=O)(=O)CC1(S(=O)(=O)C2(CF)CC2)CC1
InChIInChI=1S/C9H15FO5S2/c1-15-16(11,12)7-9(4-5-9)17(13,14)8(6-10)2-3-8/h2-7H2,1H3
InChIKeyICQSZVMDZLWBRW-UHFFFAOYSA-N
XLogP0.41
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate?
The IUPAC name of methyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate (CID 175185535) is methyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate.
What is the SMILES notation for methyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate?
The canonical SMILES for methyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate is COS(=O)(=O)CC1(S(=O)(=O)C2(CF)CC2)CC1.
What is the InChIKey of methyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate?
The InChIKey is ICQSZVMDZLWBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO5S2/c1-15-16(11,12)7-9(4-5-9)17(13,14)8(6-10)2-3-8/h2-7H2,1H3.
What are the key properties of methyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate?
methyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate has a molecular weight of 286.35 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methanesulfonate is sourced from PubChem (CID 175185535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).