1-(dimethylamino)ethyl 2-fluorobenzoate

C11H14FNO2 — CID 175337343

IUPAC1-(dimethylamino)ethyl 2-fluorobenzoate
SMILESCC(OC(=O)c1ccccc1F)N(C)C
InChIInChI=1S/C11H14FNO2/c1-8(13(2)3)15-11(14)9-6-4-5-7-10(9)12/h4-8H,1-3H3
InChIKeyYVXZDDHXDBFSPL-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.89
Rot. Bonds3

About 1-(dimethylamino)ethyl 2-fluorobenzoate

1-(dimethylamino)ethyl 2-fluorobenzoate (PubChem CID 175337343) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 1-(dimethylamino)ethyl 2-fluorobenzoate.

Molecular Properties

Compound Name1-(dimethylamino)ethyl 2-fluorobenzoate
PubChem CID175337343
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name1-(dimethylamino)ethyl 2-fluorobenzoate
SMILESCC(OC(=O)c1ccccc1F)N(C)C
InChIInChI=1S/C11H14FNO2/c1-8(13(2)3)15-11(14)9-6-4-5-7-10(9)12/h4-8H,1-3H3
InChIKeyYVXZDDHXDBFSPL-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)ethyl 2-(dimethylamino)benzoate
CID 175391310
1-(dimethylamino)ethyl 2-acetyloxybenzoate
CID 21481334
pent-4-yn-2-yl 2-fluorobenzoate
CID 167882437
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508676
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
[(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 2-fluorobenzoate
CID 6937727
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508540
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 24686549
1-(propylamino)propan-2-yl 2-fluorobenzoate
CID 82532670
2-(dimethylamino)ethyl 2-fluorobenzoate
CID 3546835
bromo 2-fluorobenzoate
CID 68843510
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7864249

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethyl 2-fluorobenzoate?
The IUPAC name of 1-(dimethylamino)ethyl 2-fluorobenzoate (CID 175337343) is 1-(dimethylamino)ethyl 2-fluorobenzoate.
What is the SMILES notation for 1-(dimethylamino)ethyl 2-fluorobenzoate?
The canonical SMILES for 1-(dimethylamino)ethyl 2-fluorobenzoate is CC(OC(=O)c1ccccc1F)N(C)C.
What is the InChIKey of 1-(dimethylamino)ethyl 2-fluorobenzoate?
The InChIKey is YVXZDDHXDBFSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8(13(2)3)15-11(14)9-6-4-5-7-10(9)12/h4-8H,1-3H3.
What are the key properties of 1-(dimethylamino)ethyl 2-fluorobenzoate?
1-(dimethylamino)ethyl 2-fluorobenzoate has a molecular weight of 211.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethyl 2-fluorobenzoate is sourced from PubChem (CID 175337343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).