2-aminopropyl 4-bromo-2-fluorobenzoate

C10H11BrFNO2 — CID 149387254

IUPAC2-aminopropyl 4-bromo-2-fluorobenzoate
SMILESCC(N)COC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO2/c1-6(13)5-15-10(14)8-3-2-7(11)4-9(8)12/h2-4,6H,5,13H2,1H3
InChIKeyYMVFIMYTJCBEEX-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.09
Rot. Bonds3

About 2-aminopropyl 4-bromo-2-fluorobenzoate

2-aminopropyl 4-bromo-2-fluorobenzoate (PubChem CID 149387254) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is 2-aminopropyl 4-bromo-2-fluorobenzoate.

Molecular Properties

Compound Name2-aminopropyl 4-bromo-2-fluorobenzoate
PubChem CID149387254
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name2-aminopropyl 4-bromo-2-fluorobenzoate
SMILESCC(N)COC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO2/c1-6(13)5-15-10(14)8-3-2-7(11)4-9(8)12/h2-4,6H,5,13H2,1H3
InChIKeyYMVFIMYTJCBEEX-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminopropyl 4-bromo-2-fluorobenzoate?
The IUPAC name of 2-aminopropyl 4-bromo-2-fluorobenzoate (CID 149387254) is 2-aminopropyl 4-bromo-2-fluorobenzoate.
What is the SMILES notation for 2-aminopropyl 4-bromo-2-fluorobenzoate?
The canonical SMILES for 2-aminopropyl 4-bromo-2-fluorobenzoate is CC(N)COC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 2-aminopropyl 4-bromo-2-fluorobenzoate?
The InChIKey is YMVFIMYTJCBEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-6(13)5-15-10(14)8-3-2-7(11)4-9(8)12/h2-4,6H,5,13H2,1H3.
What are the key properties of 2-aminopropyl 4-bromo-2-fluorobenzoate?
2-aminopropyl 4-bromo-2-fluorobenzoate has a molecular weight of 276.11 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropyl 4-bromo-2-fluorobenzoate is sourced from PubChem (CID 149387254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).