2-(dimethylamino)ethyl 2-fluorobenzoate

C11H14FNO2 — CID 3546835

IUPAC2-(dimethylamino)ethyl 2-fluorobenzoate
SMILESCN(C)CCOC(=O)c1ccccc1F
InChIInChI=1S/C11H14FNO2/c1-13(2)7-8-15-11(14)9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3
InChIKeyUHVKICKMLDQTOK-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.54
Rot. Bonds4

About 2-(dimethylamino)ethyl 2-fluorobenzoate

2-(dimethylamino)ethyl 2-fluorobenzoate (PubChem CID 3546835) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-fluorobenzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-fluorobenzoate
PubChem CID3546835
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(dimethylamino)ethyl 2-fluorobenzoate
SMILESCN(C)CCOC(=O)c1ccccc1F
InChIInChI=1S/C11H14FNO2/c1-13(2)7-8-15-11(14)9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3
InChIKeyUHVKICKMLDQTOK-UHFFFAOYSA-N
XLogP1.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)ethyl 5-amino-2-fluorobenzoate
CID 61314304
2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate
CID 91693936
2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate
CID 2329503
3-methoxypropyl 2-fluorobenzoate
CID 63297243
tridecyl 2-fluorobenzoate
CID 579690
2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate
CID 26543
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate
CID 7730694
pent-4-ynyl 2-fluorobenzoate
CID 87443524
2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate
CID 13478528
2-(dimethylamino)ethyl 2,3-bis(bromomethyl)benzoate
CID 54290065
3-(butylamino)propyl 2-fluorobenzoate
CID 82532341

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-fluorobenzoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-fluorobenzoate (CID 3546835) is 2-(dimethylamino)ethyl 2-fluorobenzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-fluorobenzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-fluorobenzoate is CN(C)CCOC(=O)c1ccccc1F.
What is the InChIKey of 2-(dimethylamino)ethyl 2-fluorobenzoate?
The InChIKey is UHVKICKMLDQTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-13(2)7-8-15-11(14)9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2-fluorobenzoate?
2-(dimethylamino)ethyl 2-fluorobenzoate has a molecular weight of 211.24 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-fluorobenzoate is sourced from PubChem (CID 3546835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).