1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane

C8H16F2S2 — CID 87128512

IUPAC1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane
SMILESCCC(CF)SSC(CC)CF
InChIInChI=1S/C8H16F2S2/c1-3-7(5-9)11-12-8(4-2)6-10/h7-8H,3-6H2,1-2H3
InChIKeyHGDFCCALPUTAQN-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.86
Rot. Bonds7

About 1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane

1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane (PubChem CID 87128512) has the molecular formula C8H16F2S2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane.

Molecular Properties

Compound Name1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane
PubChem CID87128512
Molecular FormulaC8H16F2S2
Molecular Weight214.35 g/mol
Exact Mass214.07
IUPAC Name1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane
SMILESCCC(CF)SSC(CC)CF
InChIInChI=1S/C8H16F2S2/c1-3-7(5-9)11-12-8(4-2)6-10/h7-8H,3-6H2,1-2H3
InChIKeyHGDFCCALPUTAQN-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Butyl disulfide
CID 12386
Di-sec-butyl disulfide
CID 94314
Trisulfide, dibutyl
CID 12481804
Di-2-butyltrisulfid
CID 12550512
Trifluoromethyl butyl disulfide
CID 546629
2-Fluoro-1-(2-fluoropropyldisulfanyl)propane
CID 13459592
Trifluoromethyl S-butyl disulfide
CID 545343
Ethane;methylsulfanylmethane;1,1,1-trifluoro-2-methylsulfanylpropane
CID 54246844
1-Fluoro-2-(1-fluoropropan-2-yldisulfanyl)propane
CID 87128227
1-Fluoro-1-(1-fluoropropyldisulfanyl)propane
CID 87128275
1-Fluoro-1-(1-fluoroethyldisulfanyl)ethane
CID 87128335
1,1,1-Trifluoro-3-(4,4,4-trifluorobutan-2-yldisulfanyl)butane
CID 87128405

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane?
The IUPAC name of 1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane (CID 87128512) is 1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane.
What is the SMILES notation for 1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane?
The canonical SMILES for 1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane is CCC(CF)SSC(CC)CF.
What is the InChIKey of 1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane?
The InChIKey is HGDFCCALPUTAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2S2/c1-3-7(5-9)11-12-8(4-2)6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane?
1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane has a molecular weight of 214.35 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(1-fluorobutan-2-yldisulfanyl)butane is sourced from PubChem (CID 87128512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).