bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane

C22H67F15O4S — CID 160875126

IUPACbis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane
SMILESC.C.C.C.C.C.C.C.C.C.C.CCF.CF.FCC(F)(F)F.FCCCF.FCF.FCF.FCOF.O=S(=O)(O)F
InChIInChI=1S/C3H6F2.C2H2F4.C2H5F.CH2F2O.2CH2F2.CH3F.11CH4.FHO3S/c4-2-1-3-5;3-1-2(4,5)6;1-2-3;2-1-4-3;2*2-1-3;1-2;;;;;;;;;;;;1-5(2,3)4/h1-3H2;1H2;2H2,1H3;1H2;2*1H2;1H3;11*1H4;(H,2,3,4)
InChIKeySMHDOYORRYZJMO-UHFFFAOYSA-N
MW712.81 g/mol
LogP13.73
Rot. Bonds3

About bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane

bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane (PubChem CID 160875126) has the molecular formula C22H67F15O4S and a molecular weight of 712.81 g/mol. Its IUPAC name is bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane.

Molecular Properties

Compound Namebis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane
PubChem CID160875126
Molecular FormulaC22H67F15O4S
Molecular Weight712.81 g/mol
Exact Mass712.45
IUPAC Namebis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane
SMILESC.C.C.C.C.C.C.C.C.C.C.CCF.CF.FCC(F)(F)F.FCCCF.FCF.FCF.FCOF.O=S(=O)(O)F
InChIInChI=1S/C3H6F2.C2H2F4.C2H5F.CH2F2O.2CH2F2.CH3F.11CH4.FHO3S/c4-2-1-3-5;3-1-2(4,5)6;1-2-3;2-1-4-3;2*2-1-3;1-2;;;;;;;;;;;;1-5(2,3)4/h1-3H2;1H2;2H2,1H3;1H2;2*1H2;1H3;11*1H4;(H,2,3,4)
InChIKeySMHDOYORRYZJMO-UHFFFAOYSA-N
XLogP13.73
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.81
LogP ≤ 513.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane
CID 158390889
N-(4-acetamidophenyl)acetamide;difluoromethane;fluoromethyl hypofluorite;methane;tetrafluoromethane;1,1,1-trifluoropropane
CID 159736446
fluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane
CID 91573430
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
fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid
CID 158740018
ethanol;propan-2-one;1,1,1,2-tetrafluoroethane
CID 162080870
potassium;1-fluorooctane;hydride;sulfuric acid
CID 173036344
2-fluorobutan-2-yl hydrogen sulfate
CID 87625275
2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane
CID 158609624
tricosane;trifluoromethanesulfonic acid
CID 161255361
[ethyl(2,2,2-trifluoroethyl)amino] hydrogen sulfate
CID 131724719

Frequently Asked Questions

What is the IUPAC name of bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane?
The IUPAC name of bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane (CID 160875126) is bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane.
What is the SMILES notation for bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane?
The canonical SMILES for bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane is C.C.C.C.C.C.C.C.C.C.C.CCF.CF.FCC(F)(F)F.FCCCF.FCF.FCF.FCOF.O=S(=O)(O)F.
What is the InChIKey of bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane?
The InChIKey is SMHDOYORRYZJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2.C2H2F4.C2H5F.CH2F2O.2CH2F2.CH3F.11CH4.FHO3S/c4-2-1-3-5;3-1-2(4,5)6;1-2-3;2-1-4-3;2*2-1-3;1-2;;;;;;;;;;;;1-5(2,3)4/h1-3H2;1H2;2H2,1H3;1H2;2*1H2;1H3;11*1H4;(H,2,3,4).
What are the key properties of bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane?
bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane has a molecular weight of 712.81 g/mol, XLogP of 13.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 160875126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).