(2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate

C18H18FNO4 — CID 141174730

IUPAC(2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate
SMILESCC(=O)OCCNOC(=O)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18FNO4/c1-14(21)23-13-12-20-24-17(22)18(19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20H,12-13H2,1H3
InChIKeyFOKUHYJHTLTQLI-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.51
Rot. Bonds7

About (2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate

(2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate (PubChem CID 141174730) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is (2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate.

Molecular Properties

Compound Name(2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate
PubChem CID141174730
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name(2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate
SMILESCC(=O)OCCNOC(=O)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18FNO4/c1-14(21)23-13-12-20-24-17(22)18(19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20H,12-13H2,1H3
InChIKeyFOKUHYJHTLTQLI-UHFFFAOYSA-N
XLogP2.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
bromomethane;[(E)-3-hydroxy-2-phenylprop-2-enyl] 2-fluoro-2,2-diphenylacetate
CID 24757560
2-(2-anilinoethoxy)ethyl acetate
CID 102065081
(3-ethyl-3-phenylpentyl) acetate
CID 142276896
methyl 2-amino-2-phenyl-3-(3,3,3-trifluoropropoxy)propanoate
CID 82958729
acetic acid;2-phenylethyl acetate
CID 174791962
methyl 3-fluoro-2-oxo-3,3-diphenylpropanoate
CID 134916444
2-phenylethyl acetate
CID 7654
methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate
CID 165389116
[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] acetate
CID 141073730
acetic acid;N'-tritylethane-1,2-diamine
CID 43835039
acetic acid;benzyl 2,2,2-trifluoroacetate
CID 157158802

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate?
The IUPAC name of (2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate (CID 141174730) is (2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate.
What is the SMILES notation for (2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate?
The canonical SMILES for (2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate is CC(=O)OCCNOC(=O)C(F)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate?
The InChIKey is FOKUHYJHTLTQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-14(21)23-13-12-20-24-17(22)18(19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,20H,12-13H2,1H3.
What are the key properties of (2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate?
(2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate has a molecular weight of 331.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxyethylamino) 2-fluoro-2,2-diphenylacetate is sourced from PubChem (CID 141174730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).