ethyl 2-(2,3-diamino-4-fluorophenyl)acetate

C10H13FN2O2 — CID 171024930

IUPACethyl 2-(2,3-diamino-4-fluorophenyl)acetate
SMILESCCOC(=O)Cc1ccc(F)c(N)c1N
InChIInChI=1S/C10H13FN2O2/c1-2-15-8(14)5-6-3-4-7(11)10(13)9(6)12/h3-4H,2,5,12-13H2,1H3
InChIKeyGRYHBONXIICECM-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.10
Rot. Bonds3

About ethyl 2-(2,3-diamino-4-fluorophenyl)acetate

ethyl 2-(2,3-diamino-4-fluorophenyl)acetate (PubChem CID 171024930) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is ethyl 2-(2,3-diamino-4-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-diamino-4-fluorophenyl)acetate
PubChem CID171024930
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Nameethyl 2-(2,3-diamino-4-fluorophenyl)acetate
SMILESCCOC(=O)Cc1ccc(F)c(N)c1N
InChIInChI=1S/C10H13FN2O2/c1-2-15-8(14)5-6-3-4-7(11)10(13)9(6)12/h3-4H,2,5,12-13H2,1H3
InChIKeyGRYHBONXIICECM-UHFFFAOYSA-N
XLogP1.10
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate
CID 171019947
ethyl 2-(4-fluoronaphthalen-1-yl)acetate
CID 131631742
ethyl 2-(4-chloro-3-fluoro-2-methylphenyl)acetate
CID 171030020
ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
CID 53419399
ethyl 2-(2-azido-3,4-difluorophenyl)acetate
CID 174847097
ethyl 2-(3-bromo-4-fluoro-2-nitrophenyl)acetate
CID 134632868
ethyl 2-[2-amino-4-bromo-3-(difluoromethoxy)phenyl]acetate
CID 171019944
ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
CID 170909645
ethyl 2-(5-cyano-2-fluorophenyl)acetate
CID 134652042
ethyl 2-[2-bromo-6-(bromomethyl)-3-fluorophenyl]acetate
CID 171004405
ethyl 2-[3-(bromomethyl)-2-cyano-4-fluorophenyl]acetate
CID 134652808
ethyl 2-[2-cyano-3-(difluoromethyl)-4-fluorophenyl]acetate
CID 134654457

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-diamino-4-fluorophenyl)acetate?
The IUPAC name of ethyl 2-(2,3-diamino-4-fluorophenyl)acetate (CID 171024930) is ethyl 2-(2,3-diamino-4-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(2,3-diamino-4-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-(2,3-diamino-4-fluorophenyl)acetate is CCOC(=O)Cc1ccc(F)c(N)c1N.
What is the InChIKey of ethyl 2-(2,3-diamino-4-fluorophenyl)acetate?
The InChIKey is GRYHBONXIICECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-2-15-8(14)5-6-3-4-7(11)10(13)9(6)12/h3-4H,2,5,12-13H2,1H3.
What are the key properties of ethyl 2-(2,3-diamino-4-fluorophenyl)acetate?
ethyl 2-(2,3-diamino-4-fluorophenyl)acetate has a molecular weight of 212.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-diamino-4-fluorophenyl)acetate is sourced from PubChem (CID 171024930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).