carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium

C10H15F5NO4+ — CID 130266725

IUPACcarboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium
SMILESC[N+](C)(CCCOC(=O)C(F)(F)C(F)(F)F)CC(=O)O
InChIInChI=1S/C10H14F5NO4/c1-16(2,6-7(17)18)4-3-5-20-8(19)9(11,12)10(13,14)15/h3-6H2,1-2H3/p+1
InChIKeyGTMYIJGFEVEPOM-UHFFFAOYSA-O
MW308.22 g/mol
LogP1.28
Rot. Bonds7

About carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium

carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium (PubChem CID 130266725) has the molecular formula C10H15F5NO4+ and a molecular weight of 308.22 g/mol. Its IUPAC name is carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium.

Molecular Properties

Compound Namecarboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium
PubChem CID130266725
Molecular FormulaC10H15F5NO4+
Molecular Weight308.22 g/mol
Exact Mass308.09
IUPAC Namecarboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium
SMILESC[N+](C)(CCCOC(=O)C(F)(F)C(F)(F)F)CC(=O)O
InChIInChI=1S/C10H14F5NO4/c1-16(2,6-7(17)18)4-3-5-20-8(19)9(11,12)10(13,14)15/h3-6H2,1-2H3/p+1
InChIKeyGTMYIJGFEVEPOM-UHFFFAOYSA-O
XLogP1.28
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(Ethylazanediyl)bis(ethane-2,1-diyl) bis(2,2,3,3,3-pentafluoropropanoate)
CID 91738534
Carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2-trifluoroethoxy)propyl]azanium
CID 90078635
2,2-Difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate
CID 118029370
2,3-Bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propyl-(carboxymethyl)-dimethylazanium
CID 118335274
Carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium
CID 118344740
Carboxymethyl-dimethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]azanium
CID 130266543
Carboxymethyl-dimethyl-[3-(2,2,2-trifluoroacetyl)oxypropyl]azanium
CID 130266652
3-Carbonofluoridoyloxypropyl-(carboxymethyl)-dimethylazanium
CID 130266802
(2S)-2-[(4-ethoxy-1,1,1-trifluoro-4-oxobutan-2-yl)-methylamino]propanoic acid
CID 134423881
2-[Methyl-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]amino]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 140034716
2-[3-Carbonofluoridoyloxypropyl(dimethyl)azaniumyl]acetate
CID 140799661
2-[Dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azaniumyl]acetate
CID 140799737

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium?
The IUPAC name of carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium (CID 130266725) is carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium.
What is the SMILES notation for carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium?
The canonical SMILES for carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium is C[N+](C)(CCCOC(=O)C(F)(F)C(F)(F)F)CC(=O)O.
What is the InChIKey of carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium?
The InChIKey is GTMYIJGFEVEPOM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14F5NO4/c1-16(2,6-7(17)18)4-3-5-20-8(19)9(11,12)10(13,14)15/h3-6H2,1-2H3/p+1.
What are the key properties of carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium?
carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium has a molecular weight of 308.22 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium is sourced from PubChem (CID 130266725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).