benzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate

C17H18FNO2 — CID 91069049

IUPACbenzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate
SMILESCN(C)C(C(=O)OCc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-19(2)16(14-10-6-7-11-15(14)18)17(20)21-12-13-8-4-3-5-9-13/h3-11,16H,12H2,1-2H3
InChIKeyVTVMLURATZQPCY-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.17
Rot. Bonds5

About benzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate

benzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate (PubChem CID 91069049) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is benzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Namebenzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate
PubChem CID91069049
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Namebenzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate
SMILESCN(C)C(C(=O)OCc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-19(2)16(14-10-6-7-11-15(14)18)17(20)21-12-13-8-4-3-5-9-13/h3-11,16H,12H2,1-2H3
InChIKeyVTVMLURATZQPCY-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Ethyl-piperidyl-diphenylacetate
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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate?
The IUPAC name of benzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate (CID 91069049) is benzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate.
What is the SMILES notation for benzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate?
The canonical SMILES for benzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate is CN(C)C(C(=O)OCc1ccccc1)c1ccccc1F.
What is the InChIKey of benzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate?
The InChIKey is VTVMLURATZQPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-19(2)16(14-10-6-7-11-15(14)18)17(20)21-12-13-8-4-3-5-9-13/h3-11,16H,12H2,1-2H3.
What are the key properties of benzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate?
benzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate has a molecular weight of 287.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(dimethylamino)-2-(2-fluorophenyl)acetate is sourced from PubChem (CID 91069049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).