methyl 2-(2-amino-4-fluorophenyl)acetate

C9H10FNO2 — CID 54072159

IUPACmethyl 2-(2-amino-4-fluorophenyl)acetate
SMILESCOC(=O)Cc1ccc(F)cc1N
InChIInChI=1S/C9H10FNO2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4,11H2,1H3
InChIKeyMHEPODONEMEOLH-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.12
Rot. Bonds2

About methyl 2-(2-amino-4-fluorophenyl)acetate

methyl 2-(2-amino-4-fluorophenyl)acetate (PubChem CID 54072159) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is methyl 2-(2-amino-4-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-4-fluorophenyl)acetate
PubChem CID54072159
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Namemethyl 2-(2-amino-4-fluorophenyl)acetate
SMILESCOC(=O)Cc1ccc(F)cc1N
InChIInChI=1S/C9H10FNO2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4,11H2,1H3
InChIKeyMHEPODONEMEOLH-UHFFFAOYSA-N
XLogP1.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.12
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

CID 6330703
CID 6330703
1-(2-amino-4-fluorophenyl)-3-chloropropan-2-one
CID 130837810
methyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate
CID 171030606
methyl 2-[2-amino-4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 154815090
methyl 2-(4-amino-5-fluoro-2-methylphenyl)acetate
CID 131302688
1-(2-amino-4-fluorophenyl)-4-chlorobutan-2-one
CID 70088717
methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382
methyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 84657776
methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021
methyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 72978585
methyl 3-(2-bromo-4-fluorophenyl)propanoate
CID 12047938
5-fluoro-2-(fluoromethyl)aniline
CID 91883417

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-4-fluorophenyl)acetate?
The IUPAC name of methyl 2-(2-amino-4-fluorophenyl)acetate (CID 54072159) is methyl 2-(2-amino-4-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-(2-amino-4-fluorophenyl)acetate?
The canonical SMILES for methyl 2-(2-amino-4-fluorophenyl)acetate is COC(=O)Cc1ccc(F)cc1N.
What is the InChIKey of methyl 2-(2-amino-4-fluorophenyl)acetate?
The InChIKey is MHEPODONEMEOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4,11H2,1H3.
What are the key properties of methyl 2-(2-amino-4-fluorophenyl)acetate?
methyl 2-(2-amino-4-fluorophenyl)acetate has a molecular weight of 183.18 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-4-fluorophenyl)acetate is sourced from PubChem (CID 54072159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).