(2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid

C10H8F3NO3 — CID 1268083

IUPAC(2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESO=C(O)[C@@H](NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)9(17)14-7(8(15)16)6-4-2-1-3-5-6/h1-5,7H,(H,14,17)(H,15,16)/t7-/m0/s1
InChIKeyAFPBGEGBLXHXNY-ZETCQYMHSA-N
MW247.17 g/mol
LogP1.49
Rot. Bonds3

About (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid

(2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 1268083) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID1268083
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Name(2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESO=C(O)[C@@H](NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)9(17)14-7(8(15)16)6-4-2-1-3-5-6/h1-5,7H,(H,14,17)(H,15,16)/t7-/m0/s1
InChIKeyAFPBGEGBLXHXNY-ZETCQYMHSA-N
XLogP1.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid (CID 1268083) is (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid is O=C(O)[C@@H](NC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is AFPBGEGBLXHXNY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H8F3NO3/c11-10(12,13)9(17)14-7(8(15)16)6-4-2-1-3-5-6/h1-5,7H,(H,14,17)(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid?
(2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid has a molecular weight of 247.17 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 1268083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).