1-(fluoromethylsulfonyl)-4-methylidenecyclohexane

C8H13FO2S — CID 91306454

IUPAC1-(fluoromethylsulfonyl)-4-methylidenecyclohexane
SMILESC=C1CCC(S(=O)(=O)CF)CC1
InChIInChI=1S/C8H13FO2S/c1-7-2-4-8(5-3-7)12(10,11)6-9/h8H,1-6H2
InChIKeyOJYPIEVZPAZABX-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.83
Rot. Bonds2

About 1-(fluoromethylsulfonyl)-4-methylidenecyclohexane

1-(fluoromethylsulfonyl)-4-methylidenecyclohexane (PubChem CID 91306454) has the molecular formula C8H13FO2S and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(fluoromethylsulfonyl)-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-(fluoromethylsulfonyl)-4-methylidenecyclohexane
PubChem CID91306454
Molecular FormulaC8H13FO2S
Molecular Weight192.25 g/mol
Exact Mass192.06
IUPAC Name1-(fluoromethylsulfonyl)-4-methylidenecyclohexane
SMILESC=C1CCC(S(=O)(=O)CF)CC1
InChIInChI=1S/C8H13FO2S/c1-7-2-4-8(5-3-7)12(10,11)6-9/h8H,1-6H2
InChIKeyOJYPIEVZPAZABX-UHFFFAOYSA-N
XLogP1.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.83
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
5-(trifluoromethyl)-3,4-dihydro-2H-1lambda6-thiopyran-1,1-dione
CID 132312881
1-Methylidene-3-(trifluoromethylsulfonyl)cyclohexane
CID 90762514
2-Fluoro-4-methylidene-1-methylsulfinylcyclohexane
CID 90806658
1-Methylidene-4-(trifluoromethylsulfinyl)cyclohexane
CID 90896547
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-(Fluoromethylsulfinyl)-4-methylidenecyclohexane
CID 91548703
1-Methylidene-4-(trifluoromethylsulfonyl)cyclohexane
CID 91604490
2-Fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane
CID 123780725

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethylsulfonyl)-4-methylidenecyclohexane?
The IUPAC name of 1-(fluoromethylsulfonyl)-4-methylidenecyclohexane (CID 91306454) is 1-(fluoromethylsulfonyl)-4-methylidenecyclohexane.
What is the SMILES notation for 1-(fluoromethylsulfonyl)-4-methylidenecyclohexane?
The canonical SMILES for 1-(fluoromethylsulfonyl)-4-methylidenecyclohexane is C=C1CCC(S(=O)(=O)CF)CC1.
What is the InChIKey of 1-(fluoromethylsulfonyl)-4-methylidenecyclohexane?
The InChIKey is OJYPIEVZPAZABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2S/c1-7-2-4-8(5-3-7)12(10,11)6-9/h8H,1-6H2.
What are the key properties of 1-(fluoromethylsulfonyl)-4-methylidenecyclohexane?
1-(fluoromethylsulfonyl)-4-methylidenecyclohexane has a molecular weight of 192.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethylsulfonyl)-4-methylidenecyclohexane is sourced from PubChem (CID 91306454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).