carboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium

C10H12F10NO2+ — CID 165364686

IUPACcarboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium
SMILESC[N+](C)(CC(=O)O)CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F10NO2/c1-21(2,4-6(22)23)3-5(11)7(12,13)8(14,15)9(16,17)10(18,19)20/h5H,3-4H2,1-2H3/p+1
InChIKeyWCUKRNAORCYLLN-UHFFFAOYSA-O
MW368.19 g/mol
LogP2.95
Rot. Bonds7

About carboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium

carboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium (PubChem CID 165364686) has the molecular formula C10H12F10NO2+ and a molecular weight of 368.19 g/mol. Its IUPAC name is carboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium.

Molecular Properties

Compound Namecarboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium
PubChem CID165364686
Molecular FormulaC10H12F10NO2+
Molecular Weight368.19 g/mol
Exact Mass368.07
IUPAC Namecarboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium
SMILESC[N+](C)(CC(=O)O)CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F10NO2/c1-21(2,4-6(22)23)3-5(11)7(12,13)8(14,15)9(16,17)10(18,19)20/h5H,3-4H2,1-2H3/p+1
InChIKeyWCUKRNAORCYLLN-UHFFFAOYSA-O
XLogP2.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carboxymethyl-dimethyl-(2,3,3,4,4,5,5,5-octafluoropentyl)azanium
CID 165364685
3,4,4,5,5,6,6,7,7,7-decafluoroheptanoic acid
CID 163324510
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-icosafluorododecanoic acid
CID 139595127
carboxymethyl-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)azanium
CID 3073037
carboxymethyl-dimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)azanium
CID 163324330
carboxymethyl-dimethyl-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)azanium
CID 139596056
(1-carboxy-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-trimethylazanium
CID 87602018
2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid
CID 71425836
carboxymethyl-dimethyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoylamino)propyl]azanium
CID 14496536
carboxymethyl-dimethyl-[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)propyl]azanium
CID 139597193
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-hydroxydecyl)-dimethyl-[2-oxo-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethyl]azanium bromide
CID 10909239
3,3,4,4,5,5,6-heptafluoro-2,2-dimethyloctanedioic acid
CID 87355701

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium?
The IUPAC name of carboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium (CID 165364686) is carboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium.
What is the SMILES notation for carboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium?
The canonical SMILES for carboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium is C[N+](C)(CC(=O)O)CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of carboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium?
The InChIKey is WCUKRNAORCYLLN-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11F10NO2/c1-21(2,4-6(22)23)3-5(11)7(12,13)8(14,15)9(16,17)10(18,19)20/h5H,3-4H2,1-2H3/p+1.
What are the key properties of carboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium?
carboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium has a molecular weight of 368.19 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-(2,3,3,4,4,5,5,6,6,6-decafluorohexyl)-dimethylazanium is sourced from PubChem (CID 165364686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).