2-anilino-2-(3,4,5-trifluorophenyl)acetic acid

C14H10F3NO2 — CID 63076629

IUPAC2-anilino-2-(3,4,5-trifluorophenyl)acetic acid
SMILESO=C(O)C(Nc1ccccc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H10F3NO2/c15-10-6-8(7-11(16)12(10)17)13(14(19)20)18-9-4-2-1-3-5-9/h1-7,13,18H,(H,19,20)
InChIKeyHDAAKSZMEWRYIA-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.34
Rot. Bonds4

About 2-anilino-2-(3,4,5-trifluorophenyl)acetic acid

2-anilino-2-(3,4,5-trifluorophenyl)acetic acid (PubChem CID 63076629) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-anilino-2-(3,4,5-trifluorophenyl)acetic acid.

Molecular Properties

Compound Name2-anilino-2-(3,4,5-trifluorophenyl)acetic acid
PubChem CID63076629
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name2-anilino-2-(3,4,5-trifluorophenyl)acetic acid
SMILESO=C(O)C(Nc1ccccc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H10F3NO2/c15-10-6-8(7-11(16)12(10)17)13(14(19)20)18-9-4-2-1-3-5-9/h1-7,13,18H,(H,19,20)
InChIKeyHDAAKSZMEWRYIA-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_2', 'substructure': 'N/A'}

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Related Compounds

2-anilino-2-(3-fluoro-4-hydroxyphenyl)acetic acid
CID 107690184
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
2-(3,4-difluoroanilino)-2-phenylacetic acid
CID 70136310
2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid
CID 103249643
2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54890074
2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid
CID 81437594
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
2-phenyl-2-(2,4,5-trifluoroanilino)acetic acid
CID 103249563
2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
CID 60993011
2-(4-bromoanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 63648624
2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid
CID 114075665

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(3,4,5-trifluorophenyl)acetic acid?
The IUPAC name of 2-anilino-2-(3,4,5-trifluorophenyl)acetic acid (CID 63076629) is 2-anilino-2-(3,4,5-trifluorophenyl)acetic acid.
What is the SMILES notation for 2-anilino-2-(3,4,5-trifluorophenyl)acetic acid?
The canonical SMILES for 2-anilino-2-(3,4,5-trifluorophenyl)acetic acid is O=C(O)C(Nc1ccccc1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-anilino-2-(3,4,5-trifluorophenyl)acetic acid?
The InChIKey is HDAAKSZMEWRYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-10-6-8(7-11(16)12(10)17)13(14(19)20)18-9-4-2-1-3-5-9/h1-7,13,18H,(H,19,20).
What are the key properties of 2-anilino-2-(3,4,5-trifluorophenyl)acetic acid?
2-anilino-2-(3,4,5-trifluorophenyl)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-anilino-2-(3,4,5-trifluorophenyl)acetic acid is sourced from PubChem (CID 63076629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).