cyclohexylmethyl fluoromethanesulfonate

C8H15FO3S — CID 172784013

IUPACcyclohexylmethyl fluoromethanesulfonate
SMILESO=S(=O)(CF)OCC1CCCCC1
InChIInChI=1S/C8H15FO3S/c9-7-13(10,11)12-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyOQFCVLHJBNVBBW-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.84
Rot. Bonds4

About cyclohexylmethyl fluoromethanesulfonate

cyclohexylmethyl fluoromethanesulfonate (PubChem CID 172784013) has the molecular formula C8H15FO3S and a molecular weight of 210.27 g/mol. Its IUPAC name is cyclohexylmethyl fluoromethanesulfonate.

Molecular Properties

Compound Namecyclohexylmethyl fluoromethanesulfonate
PubChem CID172784013
Molecular FormulaC8H15FO3S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Namecyclohexylmethyl fluoromethanesulfonate
SMILESO=S(=O)(CF)OCC1CCCCC1
InChIInChI=1S/C8H15FO3S/c9-7-13(10,11)12-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyOQFCVLHJBNVBBW-UHFFFAOYSA-N
XLogP1.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 cyclohexylmethyl fluoromethanesulfonate?
The IUPAC name of cyclohexylmethyl fluoromethanesulfonate (CID 172784013) is cyclohexylmethyl fluoromethanesulfonate.
What is the SMILES notation for cyclohexylmethyl fluoromethanesulfonate?
The canonical SMILES for cyclohexylmethyl fluoromethanesulfonate is O=S(=O)(CF)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl fluoromethanesulfonate?
The InChIKey is OQFCVLHJBNVBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO3S/c9-7-13(10,11)12-6-8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of cyclohexylmethyl fluoromethanesulfonate?
cyclohexylmethyl fluoromethanesulfonate has a molecular weight of 210.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl fluoromethanesulfonate is sourced from PubChem (CID 172784013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).