bis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane

C59H95F20N3O22 — CID 159052811

IUPACbis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane
SMILESC.C.C.C.C.C.C.C.C=C(C)C(=O)OCCN=C=O.C=C(C)C(=O)OCCNC(=O)OCCF.C=C(C)C(=O)OCCNC(=O)OCF.COC(OC)(C(=O)c1ccccc1)c1ccccc1.FCOC(F)(F)OC(F)(F)C(F)(F)OF.FCOC(F)(F)OC(F)(F)C(F)(F)OF.OCCF.OCF
InChIInChI=1S/C16H16O3.C9H14FNO4.C8H12FNO4.C7H9NO3.2C4H2F8O3.C2H5FO.CH3FO.8CH4/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13;1-7(2)8(12)14-6-4-11-9(13)15-5-3-10;1-6(2)7(11)13-4-3-10-8(12)14-5-9;1-6(2)7(10)11-4-3-8-5-9;2*5-1-13-4(10,11)14-2(6,7)3(8,9)15-12;3-1-2-4;2-1-3;;;;;;;;/h3-12H,1-2H3;1,3-6H2,2H3,(H,11,13);1,3-5H2,2H3,(H,10,12);1,3-4H2,2H3;2*1H2;4H,1-2H2;3H,1H2;8*1H4
InChIKeyJXMDDXRUCSFJCD-UHFFFAOYSA-N
MW1578.37 g/mol
LogP15.13
Rot. Bonds33

About bis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane

bis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane (PubChem CID 159052811) has the molecular formula C59H95F20N3O22 and a molecular weight of 1578.37 g/mol. Its IUPAC name is bis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane.

Molecular Properties

Compound Namebis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane
PubChem CID159052811
Molecular FormulaC59H95F20N3O22
Molecular Weight1578.37 g/mol
Exact Mass1577.61
IUPAC Namebis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane
SMILESC.C.C.C.C.C.C.C.C=C(C)C(=O)OCCN=C=O.C=C(C)C(=O)OCCNC(=O)OCCF.C=C(C)C(=O)OCCNC(=O)OCF.COC(OC)(C(=O)c1ccccc1)c1ccccc1.FCOC(F)(F)OC(F)(F)C(F)(F)OF.FCOC(F)(F)OC(F)(F)C(F)(F)OF.OCCF.OCF
InChIInChI=1S/C16H16O3.C9H14FNO4.C8H12FNO4.C7H9NO3.2C4H2F8O3.C2H5FO.CH3FO.8CH4/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13;1-7(2)8(12)14-6-4-11-9(13)15-5-3-10;1-6(2)7(11)13-4-3-10-8(12)14-5-9;1-6(2)7(10)11-4-3-8-5-9;2*5-1-13-4(10,11)14-2(6,7)3(8,9)15-12;3-1-2-4;2-1-3;;;;;;;;/h3-12H,1-2H3;1,3-6H2,2H3,(H,11,13);1,3-5H2,2H3,(H,10,12);1,3-4H2,2H3;2*1H2;4H,1-2H2;3H,1H2;8*1H4
InChIKeyJXMDDXRUCSFJCD-UHFFFAOYSA-N
XLogP15.13
TPSA316.36 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001578.37
LogP ≤ 515.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze bis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane with MolForge

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Related Compounds

CID 164955421
CID 164955421
2-(2-isocyanatoethoxy)ethyl 2-methylprop-2-enoate;methane;triphenylmethanethiol;2-[2-(tritylsulfanylcarbonylamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 165071783
12-[4-(2,2-dimethoxy-2-phenylacetyl)phenyl]dodecyl 2-methylprop-2-enoate
CID 129036125
2,2-dimethoxy-1,2-diphenylethanone;1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptyl 2-methylprop-2-enoate
CID 175498261
benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 160874005
1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(2-fluoroethoxy)propan-2-ol;1-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]-3-(fluoromethoxy)propan-2-ol;tetrakis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(2-fluoroethoxymethyl)oxirane;2-fluoroethyl N-ethylcarbamate;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(fluoromethoxymethyl)oxirane;fluoromethyl N-(3,3,5,5-tetramethylcyclohexyl)carbamate;methane
CID 160554083
2,2-dimethoxy-1,2-diphenylethanone;molecular iodine
CID 161260552
2-[[2-(1,1-difluoro-2-fluorooxyethoxy)-2,2-difluoroethoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 89368142
bis(2-hydroxyethyl)-methyl-propylazanium;2-isocyanatoethyl 2-methylprop-2-enoate;methyl-bis[2-[4-(2-methylprop-2-enoyloxy)butanoyloxy]ethyl]-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]azanium;methyl sulfate
CID 159532674
N-(hydroxymethyl)prop-2-enamide;2-isocyanatoethyl 2-methylprop-2-enoate
CID 88605644
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
butan-2-ol;2-(5-hydroxyhexan-3-yloxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate
CID 159841339

Frequently Asked Questions

What is the IUPAC name of bis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane?
The IUPAC name of bis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane (CID 159052811) is bis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane.
What is the SMILES notation for bis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane?
The canonical SMILES for bis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane is C.C.C.C.C.C.C.C.C=C(C)C(=O)OCCN=C=O.C=C(C)C(=O)OCCNC(=O)OCCF.C=C(C)C(=O)OCCNC(=O)OCF.COC(OC)(C(=O)c1ccccc1)c1ccccc1.FCOC(F)(F)OC(F)(F)C(F)(F)OF.FCOC(F)(F)OC(F)(F)C(F)(F)OF.OCCF.OCF.
What is the InChIKey of bis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane?
The InChIKey is JXMDDXRUCSFJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3.C9H14FNO4.C8H12FNO4.C7H9NO3.2C4H2F8O3.C2H5FO.CH3FO.8CH4/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13;1-7(2)8(12)14-6-4-11-9(13)15-5-3-10;1-6(2)7(11)13-4-3-10-8(12)14-5-9;1-6(2)7(10)11-4-3-8-5-9;2*5-1-13-4(10,11)14-2(6,7)3(8,9)15-12;3-1-2-4;2-1-3;;;;;;;;/h3-12H,1-2H3;1,3-6H2,2H3,(H,11,13);1,3-5H2,2H3,(H,10,12);1,3-4H2,2H3;2*1H2;4H,1-2H2;3H,1H2;8*1H4.
What are the key properties of bis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane?
bis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane has a molecular weight of 1578.37 g/mol, XLogP of 15.13, 33 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2-[difluoro(fluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite);2,2-dimethoxy-1,2-diphenylethanone;2-fluoroethanol;2-(2-fluoroethoxycarbonylamino)ethyl 2-methylprop-2-enoate;fluoromethanol;2-(fluoromethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate;methane is sourced from PubChem (CID 159052811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).