2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid

C9H8F3NO2 — CID 2777627

IUPAC2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESNC(C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)6-4-2-1-3-5(6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)
InChIKeyWSMXFJGWNKBPHC-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid

2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid (PubChem CID 2777627) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid
PubChem CID2777627
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESNC(C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)6-4-2-1-3-5(6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)
InChIKeyWSMXFJGWNKBPHC-UHFFFAOYSA-N
XLogP1.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid (CID 2777627) is 2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid is NC(C(=O)O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is WSMXFJGWNKBPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-9(11,12)6-4-2-1-3-5(6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15).
What are the key properties of 2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid?
2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 219.16 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 2777627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).