1,1,1-trifluoro-2-(methyldisulfanyl)ethane

C3H5F3S2 — CID 87154545

IUPAC1,1,1-trifluoro-2-(methyldisulfanyl)ethane
SMILESCSSCC(F)(F)F
InChIInChI=1S/C3H5F3S2/c1-7-8-2-3(4,5)6/h2H2,1H3
InChIKeyQFZVPPBAIHBYRU-UHFFFAOYSA-N
MW162.20 g/mol
LogP2.56
Rot. Bonds2

About 1,1,1-trifluoro-2-(methyldisulfanyl)ethane

1,1,1-trifluoro-2-(methyldisulfanyl)ethane (PubChem CID 87154545) has the molecular formula C3H5F3S2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(methyldisulfanyl)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(methyldisulfanyl)ethane
PubChem CID87154545
Molecular FormulaC3H5F3S2
Molecular Weight162.20 g/mol
Exact Mass161.98
IUPAC Name1,1,1-trifluoro-2-(methyldisulfanyl)ethane
SMILESCSSCC(F)(F)F
InChIInChI=1S/C3H5F3S2/c1-7-8-2-3(4,5)6/h2H2,1H3
InChIKeyQFZVPPBAIHBYRU-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(methyldisulfanyl)ethane?
The IUPAC name of 1,1,1-trifluoro-2-(methyldisulfanyl)ethane (CID 87154545) is 1,1,1-trifluoro-2-(methyldisulfanyl)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-(methyldisulfanyl)ethane?
The canonical SMILES for 1,1,1-trifluoro-2-(methyldisulfanyl)ethane is CSSCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(methyldisulfanyl)ethane?
The InChIKey is QFZVPPBAIHBYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3S2/c1-7-8-2-3(4,5)6/h2H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(methyldisulfanyl)ethane?
1,1,1-trifluoro-2-(methyldisulfanyl)ethane has a molecular weight of 162.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(methyldisulfanyl)ethane is sourced from PubChem (CID 87154545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).