2-[2-amino-3-(difluoromethyl)phenyl]acetic acid

C9H9F2NO2 — CID 57065676

IUPAC2-[2-amino-3-(difluoromethyl)phenyl]acetic acid
SMILESNc1c(CC(=O)O)cccc1C(F)F
InChIInChI=1S/C9H9F2NO2/c10-9(11)6-3-1-2-5(8(6)12)4-7(13)14/h1-3,9H,4,12H2,(H,13,14)
InChIKeyAUPGANPMUIDPHP-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.83
Rot. Bonds3

About 2-[2-amino-3-(difluoromethyl)phenyl]acetic acid

2-[2-amino-3-(difluoromethyl)phenyl]acetic acid (PubChem CID 57065676) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 2-[2-amino-3-(difluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-3-(difluoromethyl)phenyl]acetic acid
PubChem CID57065676
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name2-[2-amino-3-(difluoromethyl)phenyl]acetic acid
SMILESNc1c(CC(=O)O)cccc1C(F)F
InChIInChI=1S/C9H9F2NO2/c10-9(11)6-3-1-2-5(8(6)12)4-7(13)14/h1-3,9H,4,12H2,(H,13,14)
InChIKeyAUPGANPMUIDPHP-UHFFFAOYSA-N
XLogP1.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.83
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-[2-amino-3-(difluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-amino-3-(difluoromethyl)phenyl]acetic acid (CID 57065676) is 2-[2-amino-3-(difluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-amino-3-(difluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-amino-3-(difluoromethyl)phenyl]acetic acid is Nc1c(CC(=O)O)cccc1C(F)F.
What is the InChIKey of 2-[2-amino-3-(difluoromethyl)phenyl]acetic acid?
The InChIKey is AUPGANPMUIDPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-9(11)6-3-1-2-5(8(6)12)4-7(13)14/h1-3,9H,4,12H2,(H,13,14).
What are the key properties of 2-[2-amino-3-(difluoromethyl)phenyl]acetic acid?
2-[2-amino-3-(difluoromethyl)phenyl]acetic acid has a molecular weight of 201.17 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(difluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 57065676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).