2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid

C14H10F3NO2 — CID 103249643

IUPAC2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid
SMILESO=C(O)C(Nc1cc(F)cc(F)c1F)c1ccccc1
InChIInChI=1S/C14H10F3NO2/c15-9-6-10(16)12(17)11(7-9)18-13(14(19)20)8-4-2-1-3-5-8/h1-7,13,18H,(H,19,20)
InChIKeyPBWJLYYIJUGDQS-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.34
Rot. Bonds4

About 2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid

2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid (PubChem CID 103249643) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid
PubChem CID103249643
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid
SMILESO=C(O)C(Nc1cc(F)cc(F)c1F)c1ccccc1
InChIInChI=1S/C14H10F3NO2/c15-9-6-10(16)12(17)11(7-9)18-13(14(19)20)8-4-2-1-3-5-8/h1-7,13,18H,(H,19,20)
InChIKeyPBWJLYYIJUGDQS-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-difluoroanilino)-2-phenylacetic acid
CID 58556979
2-phenyl-2-(2,4,5-trifluoroanilino)acetic acid
CID 103249563
2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid
CID 103237920
2-anilino-2-(3,4,5-trifluorophenyl)acetic acid
CID 63076629
2-(3,4-difluoroanilino)-2-phenylacetic acid
CID 70136310
2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid
CID 103245512
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785
2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid
CID 115527074
(E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide
CID 101479508
2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid
CID 54890559
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
(2R)-2-anilino-2-phenylacetic acid
CID 6999890

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid?
The IUPAC name of 2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid (CID 103249643) is 2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid.
What is the SMILES notation for 2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid?
The canonical SMILES for 2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid is O=C(O)C(Nc1cc(F)cc(F)c1F)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid?
The InChIKey is PBWJLYYIJUGDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-9-6-10(16)12(17)11(7-9)18-13(14(19)20)8-4-2-1-3-5-8/h1-7,13,18H,(H,19,20).
What are the key properties of 2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid?
2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid has a molecular weight of 281.23 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid is sourced from PubChem (CID 103249643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).