1-(fluoromethylsulfinyl)-4-methylidenecyclohexane

C8H13FOS — CID 91548703

IUPAC1-(fluoromethylsulfinyl)-4-methylidenecyclohexane
SMILESC=C1CCC(S(=O)CF)CC1
InChIInChI=1S/C8H13FOS/c1-7-2-4-8(5-3-7)11(10)6-9/h8H,1-6H2
InChIKeyJMTOUTMREMJYOP-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.16
Rot. Bonds2

About 1-(fluoromethylsulfinyl)-4-methylidenecyclohexane

1-(fluoromethylsulfinyl)-4-methylidenecyclohexane (PubChem CID 91548703) has the molecular formula C8H13FOS and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(fluoromethylsulfinyl)-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-(fluoromethylsulfinyl)-4-methylidenecyclohexane
PubChem CID91548703
Molecular FormulaC8H13FOS
Molecular Weight176.26 g/mol
Exact Mass176.07
IUPAC Name1-(fluoromethylsulfinyl)-4-methylidenecyclohexane
SMILESC=C1CCC(S(=O)CF)CC1
InChIInChI=1S/C8H13FOS/c1-7-2-4-8(5-3-7)11(10)6-9/h8H,1-6H2
InChIKeyJMTOUTMREMJYOP-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.16
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
1-Methylidene-3-(trifluoromethylsulfonyl)cyclohexane
CID 90762514
2-Fluoro-4-methylidene-1-methylsulfinylcyclohexane
CID 90806658
1-Methylidene-4-(trifluoromethylsulfinyl)cyclohexane
CID 90896547
1-(Fluoromethylsulfanyl)-4-methylidenecyclohexane
CID 90970381
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-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 1-(fluoromethylsulfinyl)-4-methylidenecyclohexane?
The IUPAC name of 1-(fluoromethylsulfinyl)-4-methylidenecyclohexane (CID 91548703) is 1-(fluoromethylsulfinyl)-4-methylidenecyclohexane.
What is the SMILES notation for 1-(fluoromethylsulfinyl)-4-methylidenecyclohexane?
The canonical SMILES for 1-(fluoromethylsulfinyl)-4-methylidenecyclohexane is C=C1CCC(S(=O)CF)CC1.
What is the InChIKey of 1-(fluoromethylsulfinyl)-4-methylidenecyclohexane?
The InChIKey is JMTOUTMREMJYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FOS/c1-7-2-4-8(5-3-7)11(10)6-9/h8H,1-6H2.
What are the key properties of 1-(fluoromethylsulfinyl)-4-methylidenecyclohexane?
1-(fluoromethylsulfinyl)-4-methylidenecyclohexane has a molecular weight of 176.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethylsulfinyl)-4-methylidenecyclohexane is sourced from PubChem (CID 91548703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).