2-fluorobutan-2-ylsulfonylcyclohexane

C10H19FO2S — CID 159610844

IUPAC2-fluorobutan-2-ylsulfonylcyclohexane
SMILESCCC(C)(F)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H19FO2S/c1-3-10(2,11)14(12,13)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3
InChIKeySPKAKHZLMWLOLY-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.83
Rot. Bonds3

About 2-fluorobutan-2-ylsulfonylcyclohexane

2-fluorobutan-2-ylsulfonylcyclohexane (PubChem CID 159610844) has the molecular formula C10H19FO2S and a molecular weight of 222.32 g/mol. Its IUPAC name is 2-fluorobutan-2-ylsulfonylcyclohexane.

Molecular Properties

Compound Name2-fluorobutan-2-ylsulfonylcyclohexane
PubChem CID159610844
Molecular FormulaC10H19FO2S
Molecular Weight222.32 g/mol
Exact Mass222.11
IUPAC Name2-fluorobutan-2-ylsulfonylcyclohexane
SMILESCCC(C)(F)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H19FO2S/c1-3-10(2,11)14(12,13)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3
InChIKeySPKAKHZLMWLOLY-UHFFFAOYSA-N
XLogP2.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluorobutan-2-ylsulfonylcyclohexane?
The IUPAC name of 2-fluorobutan-2-ylsulfonylcyclohexane (CID 159610844) is 2-fluorobutan-2-ylsulfonylcyclohexane.
What is the SMILES notation for 2-fluorobutan-2-ylsulfonylcyclohexane?
The canonical SMILES for 2-fluorobutan-2-ylsulfonylcyclohexane is CCC(C)(F)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-fluorobutan-2-ylsulfonylcyclohexane?
The InChIKey is SPKAKHZLMWLOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2S/c1-3-10(2,11)14(12,13)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3.
What are the key properties of 2-fluorobutan-2-ylsulfonylcyclohexane?
2-fluorobutan-2-ylsulfonylcyclohexane has a molecular weight of 222.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobutan-2-ylsulfonylcyclohexane is sourced from PubChem (CID 159610844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).