fluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane

C3H4F5O3S- — CID 90931579

IUPACfluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane
SMILESFCC(F)(F)F.[O-]OOSCF
InChIInChI=1S/C2H2F4.CH3FO3S/c3-1-2(4,5)6;2-1-6-5-4-3/h1H2;3H,1H2/p-1
InChIKeyMDQYTZHWZSVLCT-UHFFFAOYSA-M
MW215.12 g/mol
LogP1.30
Rot. Bonds3

About fluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane

fluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane (PubChem CID 90931579) has the molecular formula C3H4F5O3S- and a molecular weight of 215.12 g/mol. Its IUPAC name is fluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane.

Molecular Properties

Compound Namefluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane
PubChem CID90931579
Molecular FormulaC3H4F5O3S-
Molecular Weight215.12 g/mol
Exact Mass214.98
IUPAC Namefluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane
SMILESFCC(F)(F)F.[O-]OOSCF
InChIInChI=1S/C2H2F4.CH3FO3S/c3-1-2(4,5)6;2-1-6-5-4-3/h1H2;3H,1H2/p-1
InChIKeyMDQYTZHWZSVLCT-UHFFFAOYSA-M
XLogP1.30
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane?
The IUPAC name of fluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane (CID 90931579) is fluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane.
What is the SMILES notation for fluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane?
The canonical SMILES for fluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane is FCC(F)(F)F.[O-]OOSCF.
What is the InChIKey of fluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane?
The InChIKey is MDQYTZHWZSVLCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2F4.CH3FO3S/c3-1-2(4,5)6;2-1-6-5-4-3/h1H2;3H,1H2/p-1.
What are the key properties of fluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane?
fluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane has a molecular weight of 215.12 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(oxidoperoxysulfanyl)methane;1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 90931579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).