[2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate

C11H12FNO3 — CID 2115637

IUPAC[2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate
SMILESCN(C)C(=O)COC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3/c1-13(2)10(14)7-16-11(15)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3
InChIKeyFJXJQAPXHSCGKR-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.07
Rot. Bonds3

About [2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate

[2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate (PubChem CID 2115637) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate
PubChem CID2115637
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate
SMILESCN(C)C(=O)COC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3/c1-13(2)10(14)7-16-11(15)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3
InChIKeyFJXJQAPXHSCGKR-UHFFFAOYSA-N
XLogP1.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-benzoylbenzoate
CID 7203975
4-O-[2-(4-fluorophenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239651
[2-(dimethylamino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate
CID 18074805
[2-(dimethylamino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7968005
ethyl 4-[(4-fluorophenyl)methyl]benzoate
CID 71541120
[2-(4-fluoroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519427
dimethylamino 4-fluorobenzoate
CID 134848619
[2-(dimethylamino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529926
[2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 18080215
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-fluorobenzoate
CID 2640344
[2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627221

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate (CID 2115637) is [2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate is CN(C)C(=O)COC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is FJXJQAPXHSCGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-13(2)10(14)7-16-11(15)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate?
[2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 225.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 2115637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).