[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride

C7H10ClFO3S — CID 154577105

IUPAC[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC12COC(CF)(C1)C2
InChIInChI=1S/C7H10ClFO3S/c8-13(10,11)5-6-1-7(2-6,3-9)12-4-6/h1-5H2
InChIKeyCBIAZFAWPYXRMS-UHFFFAOYSA-N
MW228.67 g/mol
LogP1.07
Rot. Bonds3

About [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride

[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride (PubChem CID 154577105) has the molecular formula C7H10ClFO3S and a molecular weight of 228.67 g/mol. Its IUPAC name is [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride
PubChem CID154577105
Molecular FormulaC7H10ClFO3S
Molecular Weight228.67 g/mol
Exact Mass228.00
IUPAC Name[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC12COC(CF)(C1)C2
InChIInChI=1S/C7H10ClFO3S/c8-13(10,11)5-6-1-7(2-6,3-9)12-4-6/h1-5H2
InChIKeyCBIAZFAWPYXRMS-UHFFFAOYSA-N
XLogP1.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride?
The IUPAC name of [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride (CID 154577105) is [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride is O=S(=O)(Cl)CC12COC(CF)(C1)C2.
What is the InChIKey of [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride?
The InChIKey is CBIAZFAWPYXRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFO3S/c8-13(10,11)5-6-1-7(2-6,3-9)12-4-6/h1-5H2.
What are the key properties of [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride?
[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride has a molecular weight of 228.67 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride is sourced from PubChem (CID 154577105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).