2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid

C11H12FNO2 — CID 169464007

IUPAC2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid
SMILESNCC=Cc1ccc(F)c(CC(=O)O)c1
InChIInChI=1S/C11H12FNO2/c12-10-4-3-8(2-1-5-13)6-9(10)7-11(14)15/h1-4,6H,5,7,13H2,(H,14,15)
InChIKeyLAQVMOMLCHOYQR-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.42
Rot. Bonds4

About 2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid

2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid (PubChem CID 169464007) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid
PubChem CID169464007
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid
SMILESNCC=Cc1ccc(F)c(CC(=O)O)c1
InChIInChI=1S/C11H12FNO2/c12-10-4-3-8(2-1-5-13)6-9(10)7-11(14)15/h1-4,6H,5,7,13H2,(H,14,15)
InChIKeyLAQVMOMLCHOYQR-UHFFFAOYSA-N
XLogP1.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid (CID 169464007) is 2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid is NCC=Cc1ccc(F)c(CC(=O)O)c1.
What is the InChIKey of 2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid?
The InChIKey is LAQVMOMLCHOYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-10-4-3-8(2-1-5-13)6-9(10)7-11(14)15/h1-4,6H,5,7,13H2,(H,14,15).
What are the key properties of 2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid?
2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid has a molecular weight of 209.22 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid is sourced from PubChem (CID 169464007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).