3-[4-(trifluoromethyl)anilino]propanoic acid

C10H10F3NO2 — CID 28897348

IUPAC3-[4-(trifluoromethyl)anilino]propanoic acid
SMILESO=C(O)CCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)7-1-3-8(4-2-7)14-6-5-9(15)16/h1-4,14H,5-6H2,(H,15,16)
InChIKeyGUYUVYYICBODFU-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.59
Rot. Bonds4

About 3-[4-(trifluoromethyl)anilino]propanoic acid

3-[4-(trifluoromethyl)anilino]propanoic acid (PubChem CID 28897348) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)anilino]propanoic acid
PubChem CID28897348
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name3-[4-(trifluoromethyl)anilino]propanoic acid
SMILESO=C(O)CCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)7-1-3-8(4-2-7)14-6-5-9(15)16/h1-4,14H,5-6H2,(H,15,16)
InChIKeyGUYUVYYICBODFU-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[4-(trifluoromethyl)anilino]propanamide
CID 62326575
1-[4-(trifluoromethyl)anilino]pentan-3-one
CID 154015684
3-[2-fluoro-4-(trifluoromethyl)anilino]propanoic acid
CID 107303235
3-(4-iodoanilino)propanoic acid
CID 28976553
N-(3-methylbut-3-enyl)-4-(trifluoromethyl)aniline
CID 114471916
3-(4-anilinoanilino)propanoic acid
CID 54336200
3-[4-fluoro-3-(trifluoromethyl)anilino]propanoic acid
CID 61228436
3-[[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]carbamoylamino]propanoic acid
CID 122011306
1-phenyl-5-[4-(trifluoromethyl)anilino]pentan-1-one
CID 177394657
3-[2-cyano-4-(trifluoromethyl)anilino]propanoic acid
CID 43331025
1-[[4-(trifluoromethyl)anilino]methyl]cyclopropane-1-carboxylic acid
CID 115450323
2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 43318418

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)anilino]propanoic acid?
The IUPAC name of 3-[4-(trifluoromethyl)anilino]propanoic acid (CID 28897348) is 3-[4-(trifluoromethyl)anilino]propanoic acid.
What is the SMILES notation for 3-[4-(trifluoromethyl)anilino]propanoic acid?
The canonical SMILES for 3-[4-(trifluoromethyl)anilino]propanoic acid is O=C(O)CCNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)anilino]propanoic acid?
The InChIKey is GUYUVYYICBODFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)7-1-3-8(4-2-7)14-6-5-9(15)16/h1-4,14H,5-6H2,(H,15,16).
What are the key properties of 3-[4-(trifluoromethyl)anilino]propanoic acid?
3-[4-(trifluoromethyl)anilino]propanoic acid has a molecular weight of 233.19 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)anilino]propanoic acid is sourced from PubChem (CID 28897348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).