2-fluoro-4-methylidene-1-methylsulfanylcyclohexane

C8H13FS — CID 90707277

IUPAC2-fluoro-4-methylidene-1-methylsulfanylcyclohexane
SMILESC=C1CCC(SC)C(F)C1
InChIInChI=1S/C8H13FS/c1-6-3-4-8(10-2)7(9)5-6/h7-8H,1,3-5H2,2H3
InChIKeyJKXVGUFHDRFYEK-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.80
Rot. Bonds1

About 2-fluoro-4-methylidene-1-methylsulfanylcyclohexane

2-fluoro-4-methylidene-1-methylsulfanylcyclohexane (PubChem CID 90707277) has the molecular formula C8H13FS and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-fluoro-4-methylidene-1-methylsulfanylcyclohexane.

Molecular Properties

Compound Name2-fluoro-4-methylidene-1-methylsulfanylcyclohexane
PubChem CID90707277
Molecular FormulaC8H13FS
Molecular Weight160.26 g/mol
Exact Mass160.07
IUPAC Name2-fluoro-4-methylidene-1-methylsulfanylcyclohexane
SMILESC=C1CCC(SC)C(F)C1
InChIInChI=1S/C8H13FS/c1-6-3-4-8(10-2)7(9)5-6/h7-8H,1,3-5H2,2H3
InChIKeyJKXVGUFHDRFYEK-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-methylidene-1-methylsulfanylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methylidene-2-methylsulfanylcyclohexane
CID 14529195
1,1-Difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene
CID 58962885
3-Fluoro-2,4-dimethyl-2,3-dihydrothiophene
CID 89339542
2-Fluoro-4-methylidene-1-methylsulfinylcyclohexane
CID 90806658
1-(Fluoromethylsulfanyl)-4-methylidenecyclohexane
CID 90970381
1-Ethylsulfinyl-2-fluoro-4-methylidenecyclohexane
CID 91250858
1-Methylidene-3-(trifluoromethylsulfanyl)cyclohexane
CID 91382062
1-Ethylsulfanyl-2-fluoro-4-methylidenecyclohexane
CID 91498764
1-(Fluoromethylsulfinyl)-4-methylidenecyclohexane
CID 91548703
1-Methylidene-4-(trifluoromethylsulfanyl)cyclohexane
CID 91550803
2-Fluoro-4-methylidene-2-methylsulfanylhexane
CID 167309503
Methylsulfanyl-methylene-cyclohexane
CID 12440543

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylidene-1-methylsulfanylcyclohexane?
The IUPAC name of 2-fluoro-4-methylidene-1-methylsulfanylcyclohexane (CID 90707277) is 2-fluoro-4-methylidene-1-methylsulfanylcyclohexane.
What is the SMILES notation for 2-fluoro-4-methylidene-1-methylsulfanylcyclohexane?
The canonical SMILES for 2-fluoro-4-methylidene-1-methylsulfanylcyclohexane is C=C1CCC(SC)C(F)C1.
What is the InChIKey of 2-fluoro-4-methylidene-1-methylsulfanylcyclohexane?
The InChIKey is JKXVGUFHDRFYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FS/c1-6-3-4-8(10-2)7(9)5-6/h7-8H,1,3-5H2,2H3.
What are the key properties of 2-fluoro-4-methylidene-1-methylsulfanylcyclohexane?
2-fluoro-4-methylidene-1-methylsulfanylcyclohexane has a molecular weight of 160.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylidene-1-methylsulfanylcyclohexane is sourced from PubChem (CID 90707277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).