4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane

C9H15FO2S — CID 123988801

IUPAC4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane
SMILESC=C1CCC(S(=O)(=O)CC)CC1F
InChIInChI=1S/C9H15FO2S/c1-3-13(11,12)8-5-4-7(2)9(10)6-8/h8-9H,2-6H2,1H3
InChIKeyPJWAIEYLASIOFU-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.87
Rot. Bonds2

About 4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane

4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane (PubChem CID 123988801) has the molecular formula C9H15FO2S and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane.

Molecular Properties

Compound Name4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane
PubChem CID123988801
Molecular FormulaC9H15FO2S
Molecular Weight206.28 g/mol
Exact Mass206.08
IUPAC Name4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane
SMILESC=C1CCC(S(=O)(=O)CC)CC1F
InChIInChI=1S/C9H15FO2S/c1-3-13(11,12)8-5-4-7(2)9(10)6-8/h8-9H,2-6H2,1H3
InChIKeyPJWAIEYLASIOFU-UHFFFAOYSA-N
XLogP1.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.87
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
1-Methylidene-3-(trifluoromethylsulfonyl)cyclohexane
CID 90762514
2-Fluoro-4-methylidene-1-methylsulfinylcyclohexane
CID 90806658
2-Fluoro-4-methylidene-1-methylsulfonylcyclohexane
CID 91239833
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
5-methyl-3,4-dihydro-2H-thiopyran 1,1-dioxide
CID 13330834
1-Methylidene-3-methylsulfinylcyclohexane
CID 90693062

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane?
The IUPAC name of 4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane (CID 123988801) is 4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane.
What is the SMILES notation for 4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane?
The canonical SMILES for 4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane is C=C1CCC(S(=O)(=O)CC)CC1F.
What is the InChIKey of 4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane?
The InChIKey is PJWAIEYLASIOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO2S/c1-3-13(11,12)8-5-4-7(2)9(10)6-8/h8-9H,2-6H2,1H3.
What are the key properties of 4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane?
4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane has a molecular weight of 206.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2-fluoro-1-methylidenecyclohexane is sourced from PubChem (CID 123988801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).