2-fluoropentan-2-ylsulfonylcyclohexane

C11H21FO2S — CID 159610847

IUPAC2-fluoropentan-2-ylsulfonylcyclohexane
SMILESCCCC(C)(F)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H21FO2S/c1-3-9-11(2,12)15(13,14)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3
InChIKeyRIKWDXRGJQHXSQ-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.22
Rot. Bonds4

About 2-fluoropentan-2-ylsulfonylcyclohexane

2-fluoropentan-2-ylsulfonylcyclohexane (PubChem CID 159610847) has the molecular formula C11H21FO2S and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-fluoropentan-2-ylsulfonylcyclohexane.

Molecular Properties

Compound Name2-fluoropentan-2-ylsulfonylcyclohexane
PubChem CID159610847
Molecular FormulaC11H21FO2S
Molecular Weight236.35 g/mol
Exact Mass236.12
IUPAC Name2-fluoropentan-2-ylsulfonylcyclohexane
SMILESCCCC(C)(F)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H21FO2S/c1-3-9-11(2,12)15(13,14)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3
InChIKeyRIKWDXRGJQHXSQ-UHFFFAOYSA-N
XLogP3.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropentan-2-ylsulfonylcyclohexane?
The IUPAC name of 2-fluoropentan-2-ylsulfonylcyclohexane (CID 159610847) is 2-fluoropentan-2-ylsulfonylcyclohexane.
What is the SMILES notation for 2-fluoropentan-2-ylsulfonylcyclohexane?
The canonical SMILES for 2-fluoropentan-2-ylsulfonylcyclohexane is CCCC(C)(F)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-fluoropentan-2-ylsulfonylcyclohexane?
The InChIKey is RIKWDXRGJQHXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO2S/c1-3-9-11(2,12)15(13,14)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3.
What are the key properties of 2-fluoropentan-2-ylsulfonylcyclohexane?
2-fluoropentan-2-ylsulfonylcyclohexane has a molecular weight of 236.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropentan-2-ylsulfonylcyclohexane is sourced from PubChem (CID 159610847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).