2-fluoroethyl 3-(3-aminophenoxy)propanoate

C11H14FNO3 — CID 80694480

IUPAC2-fluoroethyl 3-(3-aminophenoxy)propanoate
SMILESNc1cccc(OCCC(=O)OCCF)c1
InChIInChI=1S/C11H14FNO3/c12-5-7-16-11(14)4-6-15-10-3-1-2-9(13)8-10/h1-3,8H,4-7,13H2
InChIKeyUWRCFIGUOYLZCO-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.55
Rot. Bonds6

About 2-fluoroethyl 3-(3-aminophenoxy)propanoate

2-fluoroethyl 3-(3-aminophenoxy)propanoate (PubChem CID 80694480) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-fluoroethyl 3-(3-aminophenoxy)propanoate.

Molecular Properties

Compound Name2-fluoroethyl 3-(3-aminophenoxy)propanoate
PubChem CID80694480
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name2-fluoroethyl 3-(3-aminophenoxy)propanoate
SMILESNc1cccc(OCCC(=O)OCCF)c1
InChIInChI=1S/C11H14FNO3/c12-5-7-16-11(14)4-6-15-10-3-1-2-9(13)8-10/h1-3,8H,4-7,13H2
InChIKeyUWRCFIGUOYLZCO-UHFFFAOYSA-N
XLogP1.55
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl 3-(3-aminophenoxy)propanoate
CID 55136295
3,3,3-trifluoropropyl 3-(3-aminophenoxy)propanoate
CID 64565534
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800
3-ethoxypropyl 3-(3-aminophenoxy)propanoate
CID 65181006
2-(2-methylpropoxy)ethyl 3-(3-aminophenoxy)propanoate
CID 106448500
2-methylbutyl 3-(3-aminophenoxy)propanoate
CID 62103864
2-pyridin-2-ylethyl 3-(3-aminophenoxy)propanoate
CID 61315045
[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315233
2-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate
CID 61315802
3-(5-fluoropentoxy)aniline
CID 66646082
(5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate
CID 61316761

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 3-(3-aminophenoxy)propanoate?
The IUPAC name of 2-fluoroethyl 3-(3-aminophenoxy)propanoate (CID 80694480) is 2-fluoroethyl 3-(3-aminophenoxy)propanoate.
What is the SMILES notation for 2-fluoroethyl 3-(3-aminophenoxy)propanoate?
The canonical SMILES for 2-fluoroethyl 3-(3-aminophenoxy)propanoate is Nc1cccc(OCCC(=O)OCCF)c1.
What is the InChIKey of 2-fluoroethyl 3-(3-aminophenoxy)propanoate?
The InChIKey is UWRCFIGUOYLZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c12-5-7-16-11(14)4-6-15-10-3-1-2-9(13)8-10/h1-3,8H,4-7,13H2.
What are the key properties of 2-fluoroethyl 3-(3-aminophenoxy)propanoate?
2-fluoroethyl 3-(3-aminophenoxy)propanoate has a molecular weight of 227.24 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 3-(3-aminophenoxy)propanoate is sourced from PubChem (CID 80694480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).