2-fluoro-4-methylidene-1-methylsulfonylcyclohexane

C8H13FO2S — CID 91239833

IUPAC2-fluoro-4-methylidene-1-methylsulfonylcyclohexane
SMILESC=C1CCC(S(C)(=O)=O)C(F)C1
InChIInChI=1S/C8H13FO2S/c1-6-3-4-8(7(9)5-6)12(2,10)11/h7-8H,1,3-5H2,2H3
InChIKeyAEWWQEKBWRAGDA-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.48
Rot. Bonds1

About 2-fluoro-4-methylidene-1-methylsulfonylcyclohexane

2-fluoro-4-methylidene-1-methylsulfonylcyclohexane (PubChem CID 91239833) has the molecular formula C8H13FO2S and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-fluoro-4-methylidene-1-methylsulfonylcyclohexane.

Molecular Properties

Compound Name2-fluoro-4-methylidene-1-methylsulfonylcyclohexane
PubChem CID91239833
Molecular FormulaC8H13FO2S
Molecular Weight192.25 g/mol
Exact Mass192.06
IUPAC Name2-fluoro-4-methylidene-1-methylsulfonylcyclohexane
SMILESC=C1CCC(S(C)(=O)=O)C(F)C1
InChIInChI=1S/C8H13FO2S/c1-6-3-4-8(7(9)5-6)12(2,10)11/h7-8H,1,3-5H2,2H3
InChIKeyAEWWQEKBWRAGDA-UHFFFAOYSA-N
XLogP1.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

((Methylsulfonyl)methylene)cyclohexane
CID 215287
7-Thiabicyclo[4.2.0]oct-8-ene, 7,7-dioxide
CID 272250
1-Methylidene-3-(trifluoromethylsulfonyl)cyclohexane
CID 90762514
2-Fluoro-4-methylidene-1-methylsulfinylcyclohexane
CID 90806658
1-Methylidene-4-(trifluoromethylsulfinyl)cyclohexane
CID 90896547
1-Ethylsulfinyl-2-fluoro-4-methylidenecyclohexane
CID 91250858
1-Ethylsulfonyl-2-fluoro-4-methylidenecyclohexane
CID 91294477
1-(Fluoromethylsulfonyl)-4-methylidenecyclohexane
CID 91306454
1-(Fluoromethylsulfinyl)-4-methylidenecyclohexane
CID 91548703
1-Methylidene-4-(trifluoromethylsulfonyl)cyclohexane
CID 91604490
2-Fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane
CID 123780725
4-Ethylsulfonyl-2-fluoro-1-methylidenecyclohexane
CID 123988801

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylidene-1-methylsulfonylcyclohexane?
The IUPAC name of 2-fluoro-4-methylidene-1-methylsulfonylcyclohexane (CID 91239833) is 2-fluoro-4-methylidene-1-methylsulfonylcyclohexane.
What is the SMILES notation for 2-fluoro-4-methylidene-1-methylsulfonylcyclohexane?
The canonical SMILES for 2-fluoro-4-methylidene-1-methylsulfonylcyclohexane is C=C1CCC(S(C)(=O)=O)C(F)C1.
What is the InChIKey of 2-fluoro-4-methylidene-1-methylsulfonylcyclohexane?
The InChIKey is AEWWQEKBWRAGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2S/c1-6-3-4-8(7(9)5-6)12(2,10)11/h7-8H,1,3-5H2,2H3.
What are the key properties of 2-fluoro-4-methylidene-1-methylsulfonylcyclohexane?
2-fluoro-4-methylidene-1-methylsulfonylcyclohexane has a molecular weight of 192.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylidene-1-methylsulfonylcyclohexane is sourced from PubChem (CID 91239833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).