(2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid

C9H9F3N2O2 — CID 131872483

IUPAC(2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid
SMILESNc1ccc([C@@](N)(C(=O)O)C(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)8(14,7(15)16)5-1-3-6(13)4-2-5/h1-4H,13-14H2,(H,15,16)/t8-/m1/s1
InChIKeyFHVUGPRKHFWRCY-MRVPVSSYSA-N
MW234.18 g/mol
LogP1.07
Rot. Bonds2

About (2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid

(2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid (PubChem CID 131872483) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid
PubChem CID131872483
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name(2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid
SMILESNc1ccc([C@@](N)(C(=O)O)C(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)8(14,7(15)16)5-1-3-6(13)4-2-5/h1-4H,13-14H2,(H,15,16)/t8-/m1/s1
InChIKeyFHVUGPRKHFWRCY-MRVPVSSYSA-N
XLogP1.07
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid
CID 131872455
4-(2-fluoropropan-2-yl)aniline;2,2,2-trifluoroacetic acid
CID 154727835
(2R)-2-amino-3,3,3-trifluoro-2-(3-hydroxyphenyl)propanoic acid
CID 131872454
(2S)-2-amino-3,3,3-trifluoro-2-(3-fluorophenyl)propanoic acid
CID 95298191
2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 105486323
4-(1,1,2,2,3,3,3-heptafluoropropyl)aniline
CID 15019334
(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid
CID 95298200
(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid
CID 125180929
2-(4-aminophenyl)-2-methylbutanoic acid
CID 67863083
4-[3-(4-aminophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yl]aniline
CID 22908509
2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane
CID 143399660
2-amino-2-(2,6-difluoro-3-methylphenyl)-3,3,3-trifluoropropanoic acid
CID 82823247

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid?
The IUPAC name of (2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid (CID 131872483) is (2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid?
The canonical SMILES for (2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid is Nc1ccc([C@@](N)(C(=O)O)C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid?
The InChIKey is FHVUGPRKHFWRCY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)8(14,7(15)16)5-1-3-6(13)4-2-5/h1-4H,13-14H2,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid?
(2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid has a molecular weight of 234.18 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-aminophenyl)-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 131872483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).