2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid

C11H10F5NO3 — CID 5078510

IUPAC2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid
SMILESNC(C(=O)O)C(O)(c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F5NO3/c12-10(13,11(14,15)16)9(20,7(17)8(18)19)6-4-2-1-3-5-6/h1-5,7,20H,17H2,(H,18,19)
InChIKeyRVHCEJPQUXMKLX-UHFFFAOYSA-N
MW299.19 g/mol
LogP1.48
Rot. Bonds4

About 2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid

2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid (PubChem CID 5078510) has the molecular formula C11H10F5NO3 and a molecular weight of 299.19 g/mol. Its IUPAC name is 2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid.

Molecular Properties

Compound Name2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid
PubChem CID5078510
Molecular FormulaC11H10F5NO3
Molecular Weight299.19 g/mol
Exact Mass299.06
IUPAC Name2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid
SMILESNC(C(=O)O)C(O)(c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F5NO3/c12-10(13,11(14,15)16)9(20,7(17)8(18)19)6-4-2-1-3-5-6/h1-5,7,20H,17H2,(H,18,19)
InChIKeyRVHCEJPQUXMKLX-UHFFFAOYSA-N
XLogP1.48
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid?
The IUPAC name of 2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid (CID 5078510) is 2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid.
What is the SMILES notation for 2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid?
The canonical SMILES for 2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid is NC(C(=O)O)C(O)(c1ccccc1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid?
The InChIKey is RVHCEJPQUXMKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO3/c12-10(13,11(14,15)16)9(20,7(17)8(18)19)6-4-2-1-3-5-6/h1-5,7,20H,17H2,(H,18,19).
What are the key properties of 2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid?
2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid has a molecular weight of 299.19 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4,5,5,5-pentafluoro-3-hydroxy-3-phenylpentanoic acid is sourced from PubChem (CID 5078510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).