ethyl 2-(3-amino-2-fluorophenoxy)acetate

C10H12FNO3 — CID 141351730

IUPACethyl 2-(3-amino-2-fluorophenoxy)acetate
SMILESCCOC(=O)COc1cccc(N)c1F
InChIInChI=1S/C10H12FNO3/c1-2-14-9(13)6-15-8-5-3-4-7(12)10(8)11/h3-5H,2,6,12H2,1H3
InChIKeyGYMBMESFPZFMOG-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.35
Rot. Bonds4

About ethyl 2-(3-amino-2-fluorophenoxy)acetate

ethyl 2-(3-amino-2-fluorophenoxy)acetate (PubChem CID 141351730) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is ethyl 2-(3-amino-2-fluorophenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(3-amino-2-fluorophenoxy)acetate
PubChem CID141351730
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Nameethyl 2-(3-amino-2-fluorophenoxy)acetate
SMILESCCOC(=O)COc1cccc(N)c1F
InChIInChI=1S/C10H12FNO3/c1-2-14-9(13)6-15-8-5-3-4-7(12)10(8)11/h3-5H,2,6,12H2,1H3
InChIKeyGYMBMESFPZFMOG-UHFFFAOYSA-N
XLogP1.35
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.35
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

3-Ethoxyaniline
CID 12120
p-Phenetidine, 3-methoxy-
CID 209360
3,4-Diethoxyaniline
CID 520936
3-(Hexyloxy)aniline
CID 652414
m-Anisidine, 4-propoxy-
CID 59836
3-Propoxyaniline
CID 427432
2-(3-Aminophenoxy)ethan-1-ol
CID 3944845
3-Methoxy-4-(1-methylethoxy)benzenamine
CID 6484197
3-(2-Methoxyethoxy)aniline
CID 16640686
Ethyl 2-(4-aminophenoxy)acetate
CID 412616
Methyl 2-(3-aminophenoxy)acetate
CID 10678961
3-(Oxolan-2-ylmethoxy)aniline
CID 16641330

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-amino-2-fluorophenoxy)acetate?
The IUPAC name of ethyl 2-(3-amino-2-fluorophenoxy)acetate (CID 141351730) is ethyl 2-(3-amino-2-fluorophenoxy)acetate.
What is the SMILES notation for ethyl 2-(3-amino-2-fluorophenoxy)acetate?
The canonical SMILES for ethyl 2-(3-amino-2-fluorophenoxy)acetate is CCOC(=O)COc1cccc(N)c1F.
What is the InChIKey of ethyl 2-(3-amino-2-fluorophenoxy)acetate?
The InChIKey is GYMBMESFPZFMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-2-14-9(13)6-15-8-5-3-4-7(12)10(8)11/h3-5H,2,6,12H2,1H3.
What are the key properties of ethyl 2-(3-amino-2-fluorophenoxy)acetate?
ethyl 2-(3-amino-2-fluorophenoxy)acetate has a molecular weight of 213.21 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-amino-2-fluorophenoxy)acetate is sourced from PubChem (CID 141351730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).