1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane

C5H10F2OS2 — CID 139332050

IUPAC1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane
SMILESCC(OCC(C)(F)F)SS
InChIInChI=1S/C5H10F2OS2/c1-4(10-9)8-3-5(2,6)7/h4,9H,3H2,1-2H3
InChIKeyFBAOAVDYSVSJTP-UHFFFAOYSA-N
MW188.26 g/mol
LogP2.58
Rot. Bonds4

About 1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane

1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane (PubChem CID 139332050) has the molecular formula C5H10F2OS2 and a molecular weight of 188.26 g/mol. Its IUPAC name is 1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane.

Molecular Properties

Compound Name1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane
PubChem CID139332050
Molecular FormulaC5H10F2OS2
Molecular Weight188.26 g/mol
Exact Mass188.01
IUPAC Name1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane
SMILESCC(OCC(C)(F)F)SS
InChIInChI=1S/C5H10F2OS2/c1-4(10-9)8-3-5(2,6)7/h4,9H,3H2,1-2H3
InChIKeyFBAOAVDYSVSJTP-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane?
The IUPAC name of 1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane (CID 139332050) is 1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane.
What is the SMILES notation for 1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane?
The canonical SMILES for 1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane is CC(OCC(C)(F)F)SS.
What is the InChIKey of 1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane?
The InChIKey is FBAOAVDYSVSJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2OS2/c1-4(10-9)8-3-5(2,6)7/h4,9H,3H2,1-2H3.
What are the key properties of 1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane?
1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane has a molecular weight of 188.26 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(disulfanyl)ethoxy]-2,2-difluoropropane is sourced from PubChem (CID 139332050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).