2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride

C15H22FNO3 — CID 5325491

IUPAC2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride
SMILESCCOC(CN(CC(=O)F)Cc1ccccc1)OCC
InChIInChI=1S/C15H22FNO3/c1-3-19-15(20-4-2)12-17(11-14(16)18)10-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3
InChIKeyRLOAPPVEQJIZRH-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.38
Rot. Bonds10

About 2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride

2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride (PubChem CID 5325491) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride.

Molecular Properties

Compound Name2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride
PubChem CID5325491
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride
SMILESCCOC(CN(CC(=O)F)Cc1ccccc1)OCC
InChIInChI=1S/C15H22FNO3/c1-3-19-15(20-4-2)12-17(11-14(16)18)10-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3
InChIKeyRLOAPPVEQJIZRH-UHFFFAOYSA-N
XLogP2.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride?
The IUPAC name of 2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride (CID 5325491) is 2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride.
What is the SMILES notation for 2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride?
The canonical SMILES for 2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride is CCOC(CN(CC(=O)F)Cc1ccccc1)OCC.
What is the InChIKey of 2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride?
The InChIKey is RLOAPPVEQJIZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-3-19-15(20-4-2)12-17(11-14(16)18)10-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3.
What are the key properties of 2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride?
2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride has a molecular weight of 283.34 g/mol, XLogP of 2.38, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2,2-diethoxyethyl)amino]acetyl fluoride is sourced from PubChem (CID 5325491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).