[(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium

C9H19FNO3+ — CID 175393193

IUPAC[(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium
SMILESC[N+](C)(C)C[C@@H](CC(=O)O)OCCF
InChIInChI=1S/C9H18FNO3/c1-11(2,3)7-8(6-9(12)13)14-5-4-10/h8H,4-7H2,1-3H3/p+1/t8-/m1/s1
InChIKeyNJIGCYOVHGBAPW-MRVPVSSYSA-O
MW208.25 g/mol
LogP0.52
Rot. Bonds7

About [(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium

[(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium (PubChem CID 175393193) has the molecular formula C9H19FNO3+ and a molecular weight of 208.25 g/mol. Its IUPAC name is [(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium.

Molecular Properties

Compound Name[(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium
PubChem CID175393193
Molecular FormulaC9H19FNO3+
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name[(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium
SMILESC[N+](C)(C)C[C@@H](CC(=O)O)OCCF
InChIInChI=1S/C9H18FNO3/c1-11(2,3)7-8(6-9(12)13)14-5-4-10/h8H,4-7H2,1-3H3/p+1/t8-/m1/s1
InChIKeyNJIGCYOVHGBAPW-MRVPVSSYSA-O
XLogP0.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium?
The IUPAC name of [(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium (CID 175393193) is [(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium.
What is the SMILES notation for [(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium?
The canonical SMILES for [(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium is C[N+](C)(C)C[C@@H](CC(=O)O)OCCF.
What is the InChIKey of [(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium?
The InChIKey is NJIGCYOVHGBAPW-MRVPVSSYSA-O. The full InChI is InChI=1S/C9H18FNO3/c1-11(2,3)7-8(6-9(12)13)14-5-4-10/h8H,4-7H2,1-3H3/p+1/t8-/m1/s1.
What are the key properties of [(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium?
[(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium has a molecular weight of 208.25 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-carboxy-2-(2-fluoroethoxy)propyl]-trimethylazanium is sourced from PubChem (CID 175393193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).