2,2,2-tris(4-fluorophenyl)acetic acid

C20H13F3O2 — CID 91545050

IUPAC2,2,2-tris(4-fluorophenyl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H13F3O2/c21-16-7-1-13(2-8-16)20(19(24)25,14-3-9-17(22)10-4-14)15-5-11-18(23)12-6-15/h1-12H,(H,24,25)
InChIKeyOCSFMTWOVVDGMF-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.52
Rot. Bonds4

About 2,2,2-tris(4-fluorophenyl)acetic acid

2,2,2-tris(4-fluorophenyl)acetic acid (PubChem CID 91545050) has the molecular formula C20H13F3O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2,2,2-tris(4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2,2,2-tris(4-fluorophenyl)acetic acid
PubChem CID91545050
Molecular FormulaC20H13F3O2
Molecular Weight342.32 g/mol
Exact Mass342.09
IUPAC Name2,2,2-tris(4-fluorophenyl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H13F3O2/c21-16-7-1-13(2-8-16)20(19(24)25,14-3-9-17(22)10-4-14)15-5-11-18(23)12-6-15/h1-12H,(H,24,25)
InChIKeyOCSFMTWOVVDGMF-UHFFFAOYSA-N
XLogP4.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-2-(4-fluorophenyl)propanedioic acid
CID 139618704
2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid
CID 70123452
(2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 130618697
2-(4-fluorophenyl)-2-hydroxybutanedioic acid
CID 150762531
2,2-bis(4-fluorophenyl)-2-sulfanylacetamide
CID 87771670
2-(4-methylphenyl)-2,2-diphenylacetic acid
CID 19733760
2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 105486323
1,1-difluoro-1-(4-fluorophenyl)propan-2-one
CID 83854791
2-fluoro-2,2-bis(4-fluorophenyl)acetate
CID 20636369
2-(diethylamino)-2-(4-fluorophenyl)propanoic acid
CID 43803570
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)-1-phenylpropan-2-one
CID 59226934
2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid
CID 82238470

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tris(4-fluorophenyl)acetic acid?
The IUPAC name of 2,2,2-tris(4-fluorophenyl)acetic acid (CID 91545050) is 2,2,2-tris(4-fluorophenyl)acetic acid.
What is the SMILES notation for 2,2,2-tris(4-fluorophenyl)acetic acid?
The canonical SMILES for 2,2,2-tris(4-fluorophenyl)acetic acid is O=C(O)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2,2,2-tris(4-fluorophenyl)acetic acid?
The InChIKey is OCSFMTWOVVDGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3O2/c21-16-7-1-13(2-8-16)20(19(24)25,14-3-9-17(22)10-4-14)15-5-11-18(23)12-6-15/h1-12H,(H,24,25).
What are the key properties of 2,2,2-tris(4-fluorophenyl)acetic acid?
2,2,2-tris(4-fluorophenyl)acetic acid has a molecular weight of 342.32 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tris(4-fluorophenyl)acetic acid is sourced from PubChem (CID 91545050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).