2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid

C10H11ClFNO2 — CID 67404958

IUPAC2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid
SMILESCCC(C(=O)O)c1cc(Cl)c(N)cc1F
InChIInChI=1S/C10H11ClFNO2/c1-2-5(10(14)15)6-3-7(11)9(13)4-8(6)12/h3-5H,2,13H2,1H3,(H,14,15)
InChIKeyVJQWXJGQRQULKI-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.64
Rot. Bonds3

About 2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid

2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid (PubChem CID 67404958) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid.

Molecular Properties

Compound Name2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid
PubChem CID67404958
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid
SMILESCCC(C(=O)O)c1cc(Cl)c(N)cc1F
InChIInChI=1S/C10H11ClFNO2/c1-2-5(10(14)15)6-3-7(11)9(13)4-8(6)12/h3-5H,2,13H2,1H3,(H,14,15)
InChIKeyVJQWXJGQRQULKI-UHFFFAOYSA-N
XLogP2.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid?
The IUPAC name of 2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid (CID 67404958) is 2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid.
What is the SMILES notation for 2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid?
The canonical SMILES for 2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid is CCC(C(=O)O)c1cc(Cl)c(N)cc1F.
What is the InChIKey of 2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid?
The InChIKey is VJQWXJGQRQULKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-2-5(10(14)15)6-3-7(11)9(13)4-8(6)12/h3-5H,2,13H2,1H3,(H,14,15).
What are the key properties of 2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid?
2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid has a molecular weight of 231.65 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-chloro-2-fluorophenyl)butanoic acid is sourced from PubChem (CID 67404958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).