cycloheptylmethanesulfonyl fluoride

C8H15FO2S — CID 115019897

IUPACcycloheptylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CCCCCC1
InChIInChI=1S/C8H15FO2S/c9-12(10,11)7-8-5-3-1-2-4-6-8/h8H,1-7H2
InChIKeyNSIYAJKCXSNYBX-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.26
Rot. Bonds2

About cycloheptylmethanesulfonyl fluoride

cycloheptylmethanesulfonyl fluoride (PubChem CID 115019897) has the molecular formula C8H15FO2S and a molecular weight of 194.27 g/mol. Its IUPAC name is cycloheptylmethanesulfonyl fluoride.

Molecular Properties

Compound Namecycloheptylmethanesulfonyl fluoride
PubChem CID115019897
Molecular FormulaC8H15FO2S
Molecular Weight194.27 g/mol
Exact Mass194.08
IUPAC Namecycloheptylmethanesulfonyl fluoride
SMILESO=S(=O)(F)CC1CCCCCC1
InChIInChI=1S/C8H15FO2S/c9-12(10,11)7-8-5-3-1-2-4-6-8/h8H,1-7H2
InChIKeyNSIYAJKCXSNYBX-UHFFFAOYSA-N
XLogP2.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentylmethanesulfonyl chloride
CID 2735404
ethylcyclooctane;fluoromethane
CID 174962953
cyclopentylmethanesulfonic acid;hydrochloride
CID 174643777
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
nitrosomethylcyclotetracontane
CID 146552896
2-chloroethylsulfonylmethylcyclopentane
CID 63118869
cyclohexylmethanol;sulfuric acid
CID 71362926
2-fluoroethylcyclodecane
CID 70177675
cyclohexylmethylsulfonyloxymethanesulfonate
CID 156663582
2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane
CID 71977091
4-chloro-1-(cyclohexylmethylsulfonyl)piperidine
CID 63396715
1-cyclohexyl-N-(2-methylpropyl)methanesulfonamide
CID 62735180

Frequently Asked Questions

What is the IUPAC name of cycloheptylmethanesulfonyl fluoride?
The IUPAC name of cycloheptylmethanesulfonyl fluoride (CID 115019897) is cycloheptylmethanesulfonyl fluoride.
What is the SMILES notation for cycloheptylmethanesulfonyl fluoride?
The canonical SMILES for cycloheptylmethanesulfonyl fluoride is O=S(=O)(F)CC1CCCCCC1.
What is the InChIKey of cycloheptylmethanesulfonyl fluoride?
The InChIKey is NSIYAJKCXSNYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2S/c9-12(10,11)7-8-5-3-1-2-4-6-8/h8H,1-7H2.
What are the key properties of cycloheptylmethanesulfonyl fluoride?
cycloheptylmethanesulfonyl fluoride has a molecular weight of 194.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptylmethanesulfonyl fluoride is sourced from PubChem (CID 115019897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).