bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane

C11H19F17O5S — CID 158390889

IUPACbis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane
SMILESCCF.CF.FCF.FCF.FCOC(F)(F)C(F)(F)F.FCOC(F)(F)CF.O=S(=O)(O)F
InChIInChI=1S/C3H2F6O.C3H4F4O.C2H5F.2CH2F2.CH3F.FHO3S/c4-1-10-3(8,9)2(5,6)7;4-1-3(6,7)8-2-5;1-2-3;2*2-1-3;1-2;1-5(2,3)4/h1H2;1-2H2;2H2,1H3;2*1H2;1H3;(H,2,3,4)
InChIKeyGWYIKWYEMHTBJI-UHFFFAOYSA-N
MW586.30 g/mol
LogP6.66
Rot. Bonds5

About bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane

bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane (PubChem CID 158390889) has the molecular formula C11H19F17O5S and a molecular weight of 586.30 g/mol. Its IUPAC name is bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane.

Molecular Properties

Compound Namebis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane
PubChem CID158390889
Molecular FormulaC11H19F17O5S
Molecular Weight586.30 g/mol
Exact Mass586.07
IUPAC Namebis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane
SMILESCCF.CF.FCF.FCF.FCOC(F)(F)C(F)(F)F.FCOC(F)(F)CF.O=S(=O)(O)F
InChIInChI=1S/C3H2F6O.C3H4F4O.C2H5F.2CH2F2.CH3F.FHO3S/c4-1-10-3(8,9)2(5,6)7;4-1-3(6,7)8-2-5;1-2-3;2*2-1-3;1-2;1-5(2,3)4/h1H2;1-2H2;2H2,1H3;2*1H2;1H3;(H,2,3,4)
InChIKeyGWYIKWYEMHTBJI-UHFFFAOYSA-N
XLogP6.66
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.30
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

fluoroethane;fluoro(fluoromethoxy)methane;fluoromethane;1,1,2,2,3-pentafluoro-1-(1,1,2-trifluoroethoxy)propane;hexakis(sulfuryl difluoride);bis(1,1,2,2-tetrafluoro-1,2-bis(1,1,2-trifluoroethoxy)ethane);1,1,2-trifluoro-1-(fluoromethoxy)ethane
CID 161264140
1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane
CID 11805140
fluoromethane;1,1,2-trifluoro-1-(fluoromethoxy)ethane;1,2,2-trifluoropropane
CID 91351347
bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane
CID 160875126
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
1,1-diethoxy-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid
CID 87946457
difluoro(fluoromethoxy)methanesulfonic acid
CID 126576986
1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite
CID 158817441
2-ethoxy-2-[2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethanesulfonic acid
CID 87946455
1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride
CID 18400465
fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid
CID 158740018
CID 88500193
CID 88500193

Frequently Asked Questions

What is the IUPAC name of bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane?
The IUPAC name of bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane (CID 158390889) is bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane.
What is the SMILES notation for bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane?
The canonical SMILES for bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane is CCF.CF.FCF.FCF.FCOC(F)(F)C(F)(F)F.FCOC(F)(F)CF.O=S(=O)(O)F.
What is the InChIKey of bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane?
The InChIKey is GWYIKWYEMHTBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O.C3H4F4O.C2H5F.2CH2F2.CH3F.FHO3S/c4-1-10-3(8,9)2(5,6)7;4-1-3(6,7)8-2-5;1-2-3;2*2-1-3;1-2;1-5(2,3)4/h1H2;1-2H2;2H2,1H3;2*1H2;1H3;(H,2,3,4).
What are the key properties of bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane?
bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane has a molecular weight of 586.30 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane is sourced from PubChem (CID 158390889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).