1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane

C7H15FS2 — CID 131036795

IUPAC1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane
SMILESCSCCSCCCCF
InChIInChI=1S/C7H15FS2/c1-9-6-7-10-5-3-2-4-8/h2-7H2,1H3
InChIKeyGIOJLUGNELXPSG-UHFFFAOYSA-N
MW182.33 g/mol
LogP2.83
Rot. Bonds7

About 1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane

1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane (PubChem CID 131036795) has the molecular formula C7H15FS2 and a molecular weight of 182.33 g/mol. Its IUPAC name is 1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane.

Molecular Properties

Compound Name1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane
PubChem CID131036795
Molecular FormulaC7H15FS2
Molecular Weight182.33 g/mol
Exact Mass182.06
IUPAC Name1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane
SMILESCSCCSCCCCF
InChIInChI=1S/C7H15FS2/c1-9-6-7-10-5-3-2-4-8/h2-7H2,1H3
InChIKeyGIOJLUGNELXPSG-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorobutylsulfanyl)undecane
CID 54210142
1-bromo-3-(2-methylsulfanylethylsulfanyl)propane
CID 130648227
1-ethylsulfanyl-3-fluoropropane
CID 59155014
2-(2-methylsulfanylethylsulfanyl)ethanol
CID 15150064
1-(3-bromopropylsulfanyl)-3-methylsulfanylpropane
CID 126999987
1-fluoro-2-(2-fluoroethylsulfanyl)ethane
CID 54111079
1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane
CID 23516617
4-(2-methylsulfanylethylsulfanyl)butan-2-one
CID 130647594
ethyl 2-(7-fluoroheptylsulfanyl)acetate
CID 123512588
1-nonylsulfanyldodecane
CID 87077738
1-hexylsulfanyloctadecane
CID 21424485
1-octadecylsulfanyloctacosane
CID 87077538

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane?
The IUPAC name of 1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane (CID 131036795) is 1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane.
What is the SMILES notation for 1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane?
The canonical SMILES for 1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane is CSCCSCCCCF.
What is the InChIKey of 1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane?
The InChIKey is GIOJLUGNELXPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FS2/c1-9-6-7-10-5-3-2-4-8/h2-7H2,1H3.
What are the key properties of 1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane?
1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane has a molecular weight of 182.33 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-methylsulfanylethylsulfanyl)butane is sourced from PubChem (CID 131036795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).