2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane

C15H18F14N2O5 — CID 160550272

IUPAC2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane
SMILESC[N+](C)(CCCOC(=O)F)CC(=O)[O-].FCC(F)(F)F.FCN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C8H14FNO4.C5H2F9NO.C2H2F4/c1-10(2,6-7(11)12)4-3-5-14-8(9)13;6-1-15-2(7,8)4(11,12)16-5(13,14)3(15,9)10;3-1-2(4,5)6/h3-6H2,1-2H3;1H2;1H2
InChIKeyQXYXCNWSGFWKHS-UHFFFAOYSA-N
MW572.29 g/mol
LogP3.44
Rot. Bonds7

About 2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane

2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane (PubChem CID 160550272) has the molecular formula C15H18F14N2O5 and a molecular weight of 572.29 g/mol. Its IUPAC name is 2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane.

Molecular Properties

Compound Name2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane
PubChem CID160550272
Molecular FormulaC15H18F14N2O5
Molecular Weight572.29 g/mol
Exact Mass572.10
IUPAC Name2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane
SMILESC[N+](C)(CCCOC(=O)F)CC(=O)[O-].FCC(F)(F)F.FCN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C8H14FNO4.C5H2F9NO.C2H2F4/c1-10(2,6-7(11)12)4-3-5-14-8(9)13;6-1-15-2(7,8)4(11,12)16-5(13,14)3(15,9)10;3-1-2(4,5)6/h3-6H2,1-2H3;1H2;1H2
InChIKeyQXYXCNWSGFWKHS-UHFFFAOYSA-N
XLogP3.44
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane 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 2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane?
The IUPAC name of 2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane (CID 160550272) is 2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane.
What is the SMILES notation for 2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane?
The canonical SMILES for 2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane is C[N+](C)(CCCOC(=O)F)CC(=O)[O-].FCC(F)(F)F.FCN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane?
The InChIKey is QXYXCNWSGFWKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO4.C5H2F9NO.C2H2F4/c1-10(2,6-7(11)12)4-3-5-14-8(9)13;6-1-15-2(7,8)4(11,12)16-5(13,14)3(15,9)10;3-1-2(4,5)6/h3-6H2,1-2H3;1H2;1H2.
What are the key properties of 2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane?
2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane has a molecular weight of 572.29 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate;2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine;1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 160550272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).