1-(disulfanyl)-1-fluoroethane

C2H5FS2 — CID 87424818

IUPAC1-(disulfanyl)-1-fluoroethane
SMILESCC(F)SS
InChIInChI=1S/C2H5FS2/c1-2(3)5-4/h2,4H,1H3
InChIKeyORJAKNZFZDLSDB-UHFFFAOYSA-N
MW112.19 g/mol
LogP1.88
Rot. Bonds1

About 1-(disulfanyl)-1-fluoroethane

1-(disulfanyl)-1-fluoroethane (PubChem CID 87424818) has the molecular formula C2H5FS2 and a molecular weight of 112.19 g/mol. Its IUPAC name is 1-(disulfanyl)-1-fluoroethane.

Molecular Properties

Compound Name1-(disulfanyl)-1-fluoroethane
PubChem CID87424818
Molecular FormulaC2H5FS2
Molecular Weight112.19 g/mol
Exact Mass111.98
IUPAC Name1-(disulfanyl)-1-fluoroethane
SMILESCC(F)SS
InChIInChI=1S/C2H5FS2/c1-2(3)5-4/h2,4H,1H3
InChIKeyORJAKNZFZDLSDB-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Ethyl trifluoromethyl disulfide
CID 595492
Ethanesulfenothioic acid
CID 94671
Trithiapentane
CID 15773585
Ethyl trifluoromethyl trisulfide
CID 533716
1-Fluoroethanethiol
CID 18424679
1-Fluoroethyl thiohypochlorite
CID 21692386
1-(Ethyldisulfanyl)-2-fluoroethane
CID 87154266
1,1,1-Trifluoro-2-(methyldisulfanyl)ethane
CID 87154545
(Fluoromethyldisulfanyl)ethane
CID 87154724
(Difluoromethyldisulfanyl)ethane
CID 87154800
1-(Ethyldisulfanyl)-1-fluoroethane
CID 87154941
1-Fluoro-1-(methyldisulfanyl)ethane
CID 87155528

Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)-1-fluoroethane?
The IUPAC name of 1-(disulfanyl)-1-fluoroethane (CID 87424818) is 1-(disulfanyl)-1-fluoroethane.
What is the SMILES notation for 1-(disulfanyl)-1-fluoroethane?
The canonical SMILES for 1-(disulfanyl)-1-fluoroethane is CC(F)SS.
What is the InChIKey of 1-(disulfanyl)-1-fluoroethane?
The InChIKey is ORJAKNZFZDLSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5FS2/c1-2(3)5-4/h2,4H,1H3.
What are the key properties of 1-(disulfanyl)-1-fluoroethane?
1-(disulfanyl)-1-fluoroethane has a molecular weight of 112.19 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)-1-fluoroethane is sourced from PubChem (CID 87424818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).