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

C9H10FNO2 — CID 45496514

IUPACmethyl 2-amino-2-(2-fluorophenyl)acetate
SMILESCOC(=O)C(N)c1ccccc1F
InChIInChI=1S/C9H10FNO2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,11H2,1H3
InChIKeyNNBTVDCABPEXGX-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.00
Rot. Bonds2

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

methyl 2-amino-2-(2-fluorophenyl)acetate (PubChem CID 45496514) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is methyl 2-amino-2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(2-fluorophenyl)acetate
PubChem CID45496514
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Namemethyl 2-amino-2-(2-fluorophenyl)acetate
SMILESCOC(=O)C(N)c1ccccc1F
InChIInChI=1S/C9H10FNO2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,11H2,1H3
InChIKeyNNBTVDCABPEXGX-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(2-fluorophenyl)acetate?
The IUPAC name of methyl 2-amino-2-(2-fluorophenyl)acetate (CID 45496514) is methyl 2-amino-2-(2-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(2-fluorophenyl)acetate?
The canonical SMILES for methyl 2-amino-2-(2-fluorophenyl)acetate is COC(=O)C(N)c1ccccc1F.
What is the InChIKey of methyl 2-amino-2-(2-fluorophenyl)acetate?
The InChIKey is NNBTVDCABPEXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,11H2,1H3.
What are the key properties of methyl 2-amino-2-(2-fluorophenyl)acetate?
methyl 2-amino-2-(2-fluorophenyl)acetate has a molecular weight of 183.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(2-fluorophenyl)acetate is sourced from PubChem (CID 45496514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).