(2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid

C9H8F3NO2 — CID 1476637

IUPAC(2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESN[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)/t7-/m0/s1
InChIKeyFANMQHUKZBBELZ-ZETCQYMHSA-N
MW219.16 g/mol
LogP1.79
Rot. Bonds2

About (2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid

(2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid (PubChem CID 1476637) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid
PubChem CID1476637
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name(2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESN[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)/t7-/m0/s1
InChIKeyFANMQHUKZBBELZ-ZETCQYMHSA-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 (2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid (CID 1476637) is (2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid is N[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is FANMQHUKZBBELZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid?
(2S)-2-amino-2-[4-(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 (2S)-2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 1476637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).