(18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride

C5H13ClFNO — CID 134694270

IUPAC(18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride
SMILESC[N+](C)(C[18F])CCO.[Cl-]
InChIInChI=1S/C5H13FNO.ClH/c1-7(2,5-6)3-4-8;/h8H,3-5H2,1-2H3;1H/q+1;/p-1/i6-1;
InChIKeyQJEHIIJVWXGJAB-ZZCPHWBCSA-M
MW156.62 g/mol
LogP-3.01
Rot. Bonds3

About (18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride

(18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride (PubChem CID 134694270) has the molecular formula C5H13ClFNO and a molecular weight of 156.62 g/mol. Its IUPAC name is (18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride.

Molecular Properties

Compound Name(18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride
PubChem CID134694270
Molecular FormulaC5H13ClFNO
Molecular Weight156.62 g/mol
Exact Mass156.07
IUPAC Name(18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride
SMILESC[N+](C)(C[18F])CCO.[Cl-]
InChIInChI=1S/C5H13FNO.ClH/c1-7(2,5-6)3-4-8;/h8H,3-5H2,1-2H3;1H/q+1;/p-1/i6-1;
InChIKeyQJEHIIJVWXGJAB-ZZCPHWBCSA-M
XLogP-3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 5-3.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride?
The IUPAC name of (18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride (CID 134694270) is (18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride.
What is the SMILES notation for (18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride?
The canonical SMILES for (18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride is C[N+](C)(C[18F])CCO.[Cl-].
What is the InChIKey of (18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride?
The InChIKey is QJEHIIJVWXGJAB-ZZCPHWBCSA-M. The full InChI is InChI=1S/C5H13FNO.ClH/c1-7(2,5-6)3-4-8;/h8H,3-5H2,1-2H3;1H/q+1;/p-1/i6-1;.
What are the key properties of (18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride?
(18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride has a molecular weight of 156.62 g/mol, XLogP of -3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (18F)fluoromethyl-(2-hydroxyethyl)-dimethylazanium chloride is sourced from PubChem (CID 134694270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).