difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane

C19H49F17O5S — CID 159473571

IUPACdifluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane
SMILESC.C.C.C.C.C.C.C.CC(F)(F)CF.CF.FC(F)(F)COC(F)(F)CC(F)(F)F.FCF.FCOF.O=S(=O)(O)F
InChIInChI=1S/C5H4F8O.C3H5F3.CH2F2O.CH2F2.CH3F.8CH4.FHO3S/c6-3(7,8)1-5(12,13)14-2-4(9,10)11;1-3(5,6)2-4;2-1-4-3;2-1-3;1-2;;;;;;;;;1-5(2,3)4/h1-2H2;2H2,1H3;1H2;1H2;1H3;8*1H4;(H,2,3,4)
InChIKeyLWCDPDPFWDMEAB-UHFFFAOYSA-N
MW712.63 g/mol
LogP11.85
Rot. Bonds5

About difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane

difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane (PubChem CID 159473571) has the molecular formula C19H49F17O5S and a molecular weight of 712.63 g/mol. Its IUPAC name is difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane.

Molecular Properties

Compound Namedifluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane
PubChem CID159473571
Molecular FormulaC19H49F17O5S
Molecular Weight712.63 g/mol
Exact Mass712.30
IUPAC Namedifluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane
SMILESC.C.C.C.C.C.C.C.CC(F)(F)CF.CF.FC(F)(F)COC(F)(F)CC(F)(F)F.FCF.FCOF.O=S(=O)(O)F
InChIInChI=1S/C5H4F8O.C3H5F3.CH2F2O.CH2F2.CH3F.8CH4.FHO3S/c6-3(7,8)1-5(12,13)14-2-4(9,10)11;1-3(5,6)2-4;2-1-4-3;2-1-3;1-2;;;;;;;;;1-5(2,3)4/h1-2H2;2H2,1H3;1H2;1H2;1H3;8*1H4;(H,2,3,4)
InChIKeyLWCDPDPFWDMEAB-UHFFFAOYSA-N
XLogP11.85
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.63
LogP ≤ 511.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane?
The IUPAC name of difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane (CID 159473571) is difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane.
What is the SMILES notation for difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane?
The canonical SMILES for difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane is C.C.C.C.C.C.C.C.CC(F)(F)CF.CF.FC(F)(F)COC(F)(F)CC(F)(F)F.FCF.FCOF.O=S(=O)(O)F.
What is the InChIKey of difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane?
The InChIKey is LWCDPDPFWDMEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O.C3H5F3.CH2F2O.CH2F2.CH3F.8CH4.FHO3S/c6-3(7,8)1-5(12,13)14-2-4(9,10)11;1-3(5,6)2-4;2-1-4-3;2-1-3;1-2;;;;;;;;;1-5(2,3)4/h1-2H2;2H2,1H3;1H2;1H2;1H3;8*1H4;(H,2,3,4).
What are the key properties of difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane?
difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane has a molecular weight of 712.63 g/mol, XLogP of 11.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane is sourced from PubChem (CID 159473571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).