1-(ethyldisulfanyl)-1-fluoroethane

C4H9FS2 — CID 87154941

IUPAC1-(ethyldisulfanyl)-1-fluoroethane
SMILESCCSSC(C)F
InChIInChI=1S/C4H9FS2/c1-3-6-7-4(2)5/h4H,3H2,1-2H3
InChIKeyLXLIVTGTXWUXSV-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.70
Rot. Bonds3

About 1-(ethyldisulfanyl)-1-fluoroethane

1-(ethyldisulfanyl)-1-fluoroethane (PubChem CID 87154941) has the molecular formula C4H9FS2 and a molecular weight of 140.25 g/mol. Its IUPAC name is 1-(ethyldisulfanyl)-1-fluoroethane.

Molecular Properties

Compound Name1-(ethyldisulfanyl)-1-fluoroethane
PubChem CID87154941
Molecular FormulaC4H9FS2
Molecular Weight140.25 g/mol
Exact Mass140.01
IUPAC Name1-(ethyldisulfanyl)-1-fluoroethane
SMILESCCSSC(C)F
InChIInChI=1S/C4H9FS2/c1-3-6-7-4(2)5/h4H,3H2,1-2H3
InChIKeyLXLIVTGTXWUXSV-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.70
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

Diethyl disulfide
CID 8077
Diethyl trisulfide
CID 77151
2-Fluoro-1-(2-fluoropropyldisulfanyl)propane
CID 13459592
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-Fluoro-2-(2-fluoroethyldisulfanyl)ethane
CID 87128418
2-(Ethyldisulfanyl)-1-fluoropropane
CID 87128535
1-(Ethyldisulfanyl)-2-fluoroethane
CID 87154266
(Fluoromethyldisulfanyl)ethane
CID 87154724
1-Fluoro-1-(methyldisulfanyl)ethane
CID 87155528
1-Fluoro-2-(methyldisulfanyl)ethane
CID 87156178

Frequently Asked Questions

What is the IUPAC name of 1-(ethyldisulfanyl)-1-fluoroethane?
The IUPAC name of 1-(ethyldisulfanyl)-1-fluoroethane (CID 87154941) is 1-(ethyldisulfanyl)-1-fluoroethane.
What is the SMILES notation for 1-(ethyldisulfanyl)-1-fluoroethane?
The canonical SMILES for 1-(ethyldisulfanyl)-1-fluoroethane is CCSSC(C)F.
What is the InChIKey of 1-(ethyldisulfanyl)-1-fluoroethane?
The InChIKey is LXLIVTGTXWUXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FS2/c1-3-6-7-4(2)5/h4H,3H2,1-2H3.
What are the key properties of 1-(ethyldisulfanyl)-1-fluoroethane?
1-(ethyldisulfanyl)-1-fluoroethane has a molecular weight of 140.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyldisulfanyl)-1-fluoroethane is sourced from PubChem (CID 87154941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).