2-fluoro-1-(2-fluorobutyldisulfanyl)butane

C8H16F2S2 — CID 87624101

IUPAC2-fluoro-1-(2-fluorobutyldisulfanyl)butane
SMILESCCC(F)CSSCC(F)CC
InChIInChI=1S/C8H16F2S2/c1-3-7(9)5-11-12-6-8(10)4-2/h7-8H,3-6H2,1-2H3
InChIKeyIOFAVULBPNCDPP-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.86
Rot. Bonds7

About 2-fluoro-1-(2-fluorobutyldisulfanyl)butane

2-fluoro-1-(2-fluorobutyldisulfanyl)butane (PubChem CID 87624101) has the molecular formula C8H16F2S2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-fluoro-1-(2-fluorobutyldisulfanyl)butane.

Molecular Properties

Compound Name2-fluoro-1-(2-fluorobutyldisulfanyl)butane
PubChem CID87624101
Molecular FormulaC8H16F2S2
Molecular Weight214.35 g/mol
Exact Mass214.07
IUPAC Name2-fluoro-1-(2-fluorobutyldisulfanyl)butane
SMILESCCC(F)CSSCC(F)CC
InChIInChI=1S/C8H16F2S2/c1-3-7(9)5-11-12-6-8(10)4-2/h7-8H,3-6H2,1-2H3
InChIKeyIOFAVULBPNCDPP-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(2-fluorobutyldisulfanyl)butane?
The IUPAC name of 2-fluoro-1-(2-fluorobutyldisulfanyl)butane (CID 87624101) is 2-fluoro-1-(2-fluorobutyldisulfanyl)butane.
What is the SMILES notation for 2-fluoro-1-(2-fluorobutyldisulfanyl)butane?
The canonical SMILES for 2-fluoro-1-(2-fluorobutyldisulfanyl)butane is CCC(F)CSSCC(F)CC.
What is the InChIKey of 2-fluoro-1-(2-fluorobutyldisulfanyl)butane?
The InChIKey is IOFAVULBPNCDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2S2/c1-3-7(9)5-11-12-6-8(10)4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-1-(2-fluorobutyldisulfanyl)butane?
2-fluoro-1-(2-fluorobutyldisulfanyl)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 2-fluoro-1-(2-fluorobutyldisulfanyl)butane is sourced from PubChem (CID 87624101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).