methyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate

C8H13FO5S2 — CID 175179246

IUPACmethyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate
SMILESCOS(=O)(=O)CC1(S(=O)(=O)C2(F)CC2)CC1
InChIInChI=1S/C8H13FO5S2/c1-14-15(10,11)6-7(2-3-7)16(12,13)8(9)4-5-8/h2-6H2,1H3
InChIKeyNSRPKIKEXPLLHT-UHFFFAOYSA-N
MW272.32 g/mol
LogP0.37
Rot. Bonds5

About methyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate

methyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate (PubChem CID 175179246) has the molecular formula C8H13FO5S2 and a molecular weight of 272.32 g/mol. Its IUPAC name is methyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate.

Molecular Properties

Compound Namemethyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate
PubChem CID175179246
Molecular FormulaC8H13FO5S2
Molecular Weight272.32 g/mol
Exact Mass272.02
IUPAC Namemethyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate
SMILESCOS(=O)(=O)CC1(S(=O)(=O)C2(F)CC2)CC1
InChIInChI=1S/C8H13FO5S2/c1-14-15(10,11)6-7(2-3-7)16(12,13)8(9)4-5-8/h2-6H2,1H3
InChIKeyNSRPKIKEXPLLHT-UHFFFAOYSA-N
XLogP0.37
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate?
The IUPAC name of methyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate (CID 175179246) is methyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate.
What is the SMILES notation for methyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate?
The canonical SMILES for methyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate is COS(=O)(=O)CC1(S(=O)(=O)C2(F)CC2)CC1.
What is the InChIKey of methyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate?
The InChIKey is NSRPKIKEXPLLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO5S2/c1-14-15(10,11)6-7(2-3-7)16(12,13)8(9)4-5-8/h2-6H2,1H3.
What are the key properties of methyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate?
methyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate has a molecular weight of 272.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [1-(1-fluorocyclopropyl)sulfonylcyclopropyl]methanesulfonate is sourced from PubChem (CID 175179246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).