1-ethylsulfonyl-1-(fluoromethyl)cyclohexane

C9H17FO2S — CID 71216349

IUPAC1-ethylsulfonyl-1-(fluoromethyl)cyclohexane
SMILESCCS(=O)(=O)C1(CF)CCCCC1
InChIInChI=1S/C9H17FO2S/c1-2-13(11,12)9(8-10)6-4-3-5-7-9/h2-8H2,1H3
InChIKeyLQWQXEJWYMVWSJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.09
Rot. Bonds3

About 1-ethylsulfonyl-1-(fluoromethyl)cyclohexane

1-ethylsulfonyl-1-(fluoromethyl)cyclohexane (PubChem CID 71216349) has the molecular formula C9H17FO2S and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-ethylsulfonyl-1-(fluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-ethylsulfonyl-1-(fluoromethyl)cyclohexane
PubChem CID71216349
Molecular FormulaC9H17FO2S
Molecular Weight208.30 g/mol
Exact Mass208.09
IUPAC Name1-ethylsulfonyl-1-(fluoromethyl)cyclohexane
SMILESCCS(=O)(=O)C1(CF)CCCCC1
InChIInChI=1S/C9H17FO2S/c1-2-13(11,12)9(8-10)6-4-3-5-7-9/h2-8H2,1H3
InChIKeyLQWQXEJWYMVWSJ-UHFFFAOYSA-N
XLogP2.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethylsulfonyl-1-(fluoromethyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-1-(fluoromethyl)cyclohexane?
The IUPAC name of 1-ethylsulfonyl-1-(fluoromethyl)cyclohexane (CID 71216349) is 1-ethylsulfonyl-1-(fluoromethyl)cyclohexane.
What is the SMILES notation for 1-ethylsulfonyl-1-(fluoromethyl)cyclohexane?
The canonical SMILES for 1-ethylsulfonyl-1-(fluoromethyl)cyclohexane is CCS(=O)(=O)C1(CF)CCCCC1.
What is the InChIKey of 1-ethylsulfonyl-1-(fluoromethyl)cyclohexane?
The InChIKey is LQWQXEJWYMVWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO2S/c1-2-13(11,12)9(8-10)6-4-3-5-7-9/h2-8H2,1H3.
What are the key properties of 1-ethylsulfonyl-1-(fluoromethyl)cyclohexane?
1-ethylsulfonyl-1-(fluoromethyl)cyclohexane has a molecular weight of 208.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-1-(fluoromethyl)cyclohexane is sourced from PubChem (CID 71216349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).