1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane

C9H15FOS — CID 91250858

IUPAC1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane
SMILESC=C1CCC(S(=O)CC)C(F)C1
InChIInChI=1S/C9H15FOS/c1-3-12(11)9-5-4-7(2)6-8(9)10/h8-9H,2-6H2,1H3
InChIKeyVAEYQSYQVXAVIX-UHFFFAOYSA-N
MW190.28 g/mol
LogP2.20
Rot. Bonds2

About 1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane

1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane (PubChem CID 91250858) has the molecular formula C9H15FOS and a molecular weight of 190.28 g/mol. Its IUPAC name is 1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane
PubChem CID91250858
Molecular FormulaC9H15FOS
Molecular Weight190.28 g/mol
Exact Mass190.08
IUPAC Name1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane
SMILESC=C1CCC(S(=O)CC)C(F)C1
InChIInChI=1S/C9H15FOS/c1-3-12(11)9-5-4-7(2)6-8(9)10/h8-9H,2-6H2,1H3
InChIKeyVAEYQSYQVXAVIX-UHFFFAOYSA-N
XLogP2.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 52.20
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

2-Fluoro-4-methylidene-1-methylsulfanylcyclohexane
CID 90707277
2-Fluoro-4-methylidene-1-methylsulfinylcyclohexane
CID 90806658
1-Methylidene-4-(trifluoromethylsulfinyl)cyclohexane
CID 90896547
2-Fluoro-4-methylidene-1-methylsulfonylcyclohexane
CID 91239833
1-Ethylsulfonyl-2-fluoro-4-methylidenecyclohexane
CID 91294477
1-(Fluoromethylsulfonyl)-4-methylidenecyclohexane
CID 91306454
1-Ethylsulfanyl-2-fluoro-4-methylidenecyclohexane
CID 91498764
1-(Fluoromethylsulfinyl)-4-methylidenecyclohexane
CID 91548703
2-Fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane
CID 123780725
4-Ethylsulfonyl-2-fluoro-1-methylidenecyclohexane
CID 123988801
4-Methylidene-1-(4,4,5,5,5-pentafluoropentylsulfinyl)hexane
CID 169896366
1-Methylidene-3-methylsulfinylcyclohexane
CID 90693062

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane?
The IUPAC name of 1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane (CID 91250858) is 1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane.
What is the SMILES notation for 1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane?
The canonical SMILES for 1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane is C=C1CCC(S(=O)CC)C(F)C1.
What is the InChIKey of 1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane?
The InChIKey is VAEYQSYQVXAVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FOS/c1-3-12(11)9-5-4-7(2)6-8(9)10/h8-9H,2-6H2,1H3.
What are the key properties of 1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane?
1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane has a molecular weight of 190.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinyl-2-fluoro-4-methylidenecyclohexane is sourced from PubChem (CID 91250858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).