1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane

C8H11F3OS — CID 90896547

IUPAC1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane
SMILESC=C1CCC(S(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H11F3OS/c1-6-2-4-7(5-3-6)13(12)8(9,10)11/h7H,1-5H2
InChIKeyFCKZSOSJPSRBFT-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.75
Rot. Bonds1

About 1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane

1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane (PubChem CID 90896547) has the molecular formula C8H11F3OS and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane.

Molecular Properties

Compound Name1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane
PubChem CID90896547
Molecular FormulaC8H11F3OS
Molecular Weight212.24 g/mol
Exact Mass212.05
IUPAC Name1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane
SMILESC=C1CCC(S(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H11F3OS/c1-6-2-4-7(5-3-6)13(12)8(9,10)11/h7H,1-5H2
InChIKeyFCKZSOSJPSRBFT-UHFFFAOYSA-N
XLogP2.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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-(Fluoromethylsulfonyl)-4-methylidenecyclohexane
CID 91306454
1-Methylidene-3-(trifluoromethylsulfanyl)cyclohexane
CID 91382062
1-(Fluoromethylsulfinyl)-4-methylidenecyclohexane
CID 91548703
1-Methylidene-4-(trifluoromethylsulfanyl)cyclohexane
CID 91550803
1-Methylidene-4-(trifluoromethylsulfonyl)cyclohexane
CID 91604490
4-Methylidene-1-(4,4,5,5,5-pentafluoropentylsulfinyl)hexane
CID 169896366
1-Methylidene-3-methylsulfinylcyclohexane
CID 90693062
1-Methylidene-4-methylsulfinylcyclohexane
CID 90883145

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane?
The IUPAC name of 1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane (CID 90896547) is 1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane.
What is the SMILES notation for 1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane?
The canonical SMILES for 1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane is C=C1CCC(S(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane?
The InChIKey is FCKZSOSJPSRBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3OS/c1-6-2-4-7(5-3-6)13(12)8(9,10)11/h7H,1-5H2.
What are the key properties of 1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane?
1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane has a molecular weight of 212.24 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-4-(trifluoromethylsulfinyl)cyclohexane is sourced from PubChem (CID 90896547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).