carboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium

C14H13F17NO2+ — CID 10460200

IUPACcarboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium
SMILESC[N+](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)O
InChIInChI=1S/C14H12F17NO2/c1-32(2,5-6(33)34)4-3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h3-5H2,1-2H3/p+1
InChIKeyRROPBNJOTUKBHE-UHFFFAOYSA-O
MW550.23 g/mol
LogP5.55
Rot. Bonds11

About carboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium

carboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium (PubChem CID 10460200) has the molecular formula C14H13F17NO2+ and a molecular weight of 550.23 g/mol. Its IUPAC name is carboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium.

Molecular Properties

Compound Namecarboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium
PubChem CID10460200
Molecular FormulaC14H13F17NO2+
Molecular Weight550.23 g/mol
Exact Mass550.07
IUPAC Namecarboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium
SMILESC[N+](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)O
InChIInChI=1S/C14H12F17NO2/c1-32(2,5-6(33)34)4-3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h3-5H2,1-2H3/p+1
InChIKeyRROPBNJOTUKBHE-UHFFFAOYSA-O
XLogP5.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.23
LogP ≤ 55.55
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'}

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Frequently Asked Questions

What is the IUPAC name of carboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium?
The IUPAC name of carboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium (CID 10460200) is carboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium.
What is the SMILES notation for carboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium?
The canonical SMILES for carboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium is C[N+](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)O.
What is the InChIKey of carboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium?
The InChIKey is RROPBNJOTUKBHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H12F17NO2/c1-32(2,5-6(33)34)4-3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h3-5H2,1-2H3/p+1.
What are the key properties of carboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium?
carboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium has a molecular weight of 550.23 g/mol, XLogP of 5.55, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium is sourced from PubChem (CID 10460200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).