ethyl 4-amino-3-fluoro-2-methylbenzoate

C10H12FNO2 — CID 131583478

IUPACethyl 4-amino-3-fluoro-2-methylbenzoate
SMILESCCOC(=O)c1ccc(N)c(F)c1C
InChIInChI=1S/C10H12FNO2/c1-3-14-10(13)7-4-5-8(12)9(11)6(7)2/h4-5H,3,12H2,1-2H3
InChIKeyIYRHWOCFYIGPMN-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.89
Rot. Bonds2

About ethyl 4-amino-3-fluoro-2-methylbenzoate

ethyl 4-amino-3-fluoro-2-methylbenzoate (PubChem CID 131583478) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is ethyl 4-amino-3-fluoro-2-methylbenzoate.

Molecular Properties

Compound Nameethyl 4-amino-3-fluoro-2-methylbenzoate
PubChem CID131583478
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Nameethyl 4-amino-3-fluoro-2-methylbenzoate
SMILESCCOC(=O)c1ccc(N)c(F)c1C
InChIInChI=1S/C10H12FNO2/c1-3-14-10(13)7-4-5-8(12)9(11)6(7)2/h4-5H,3,12H2,1-2H3
InChIKeyIYRHWOCFYIGPMN-UHFFFAOYSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-2-fluorobenzoate
CID 46311258
ethyl 4-amino-2-bromo-3-methylbenzoate
CID 171020944
ethyl 3-amino-2,6-difluorobenzoate
CID 23137423
ethyl 4-cyano-3-fluoro-2-methylbenzoate
CID 134633399
ethyl 4-amino-2,3-dihydroxybenzoate
CID 174666783
ethyl 3-amino-4-hydroxy-2-methylbenzoate
CID 131486340
ethyl 3-amino-6-chloro-2-fluorobenzoate
CID 59418461
ethyl 4-amino-2,3-diethoxybenzoate
CID 69259222
ethyl 4-chloro-2,3-difluorobenzoate
CID 46311295
ethyl 2-amino-3-fluoro-4-methoxybenzoate
CID 54595933
ethyl 6-amino-2-fluoropyridine-3-carboxylate
CID 118545226
ethyl 2-bromo-4-fluoro-3-methylbenzoate
CID 131143922

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-fluoro-2-methylbenzoate?
The IUPAC name of ethyl 4-amino-3-fluoro-2-methylbenzoate (CID 131583478) is ethyl 4-amino-3-fluoro-2-methylbenzoate.
What is the SMILES notation for ethyl 4-amino-3-fluoro-2-methylbenzoate?
The canonical SMILES for ethyl 4-amino-3-fluoro-2-methylbenzoate is CCOC(=O)c1ccc(N)c(F)c1C.
What is the InChIKey of ethyl 4-amino-3-fluoro-2-methylbenzoate?
The InChIKey is IYRHWOCFYIGPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-3-14-10(13)7-4-5-8(12)9(11)6(7)2/h4-5H,3,12H2,1-2H3.
What are the key properties of ethyl 4-amino-3-fluoro-2-methylbenzoate?
ethyl 4-amino-3-fluoro-2-methylbenzoate has a molecular weight of 197.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-fluoro-2-methylbenzoate is sourced from PubChem (CID 131583478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).