2-anilino-3,3,3-trifluoro-2-methylpropanoic acid

C10H10F3NO2 — CID 106523306

IUPAC2-anilino-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(Nc1ccccc1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-9(8(15)16,10(11,12)13)14-7-5-3-2-4-6-7/h2-6,14H,1H3,(H,15,16)
InChIKeyGKUKYTZUHKVDDZ-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.50
Rot. Bonds3

About 2-anilino-3,3,3-trifluoro-2-methylpropanoic acid

2-anilino-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 106523306) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-anilino-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-anilino-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID106523306
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2-anilino-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(Nc1ccccc1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-9(8(15)16,10(11,12)13)14-7-5-3-2-4-6-7/h2-6,14H,1H3,(H,15,16)
InChIKeyGKUKYTZUHKVDDZ-UHFFFAOYSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-methyl-2-(4-methylsulfonylanilino)propanoic acid
CID 79798707
2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795990
2-anilino-2-hydroxypropanoic acid
CID 159388558
3,3,3-trifluoro-2-methyl-2-[(3-methylquinoxalin-2-yl)amino]propanoic acid
CID 79790688
N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)acetamide
CID 2817483
3,3,3-trifluoro-2-methyl-2-(phthalazin-1-ylamino)propanoic acid
CID 79798204
2-[(6-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798120
3,3,3-trifluoro-2-methyl-2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 79798429
3,3,3-trifluoro-2-methyl-2-(3-phenylprop-2-ynylamino)propanoic acid
CID 79788692
3,3,3-trifluoro-2-methyl-2-[[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 79796402
2-anilino-2-methylpentanoic acid
CID 60992039
2-[(2-chlorophenyl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792043

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-anilino-3,3,3-trifluoro-2-methylpropanoic acid (CID 106523306) is 2-anilino-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-anilino-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-anilino-3,3,3-trifluoro-2-methylpropanoic acid is CC(Nc1ccccc1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-anilino-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is GKUKYTZUHKVDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-9(8(15)16,10(11,12)13)14-7-5-3-2-4-6-7/h2-6,14H,1H3,(H,15,16).
What are the key properties of 2-anilino-3,3,3-trifluoro-2-methylpropanoic acid?
2-anilino-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 233.19 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 106523306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).