2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid

C59H47F7O9 — CID 158442146

IUPAC2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESCOc1ccc(-c2ccc(F)cc2CC(=O)O)cc1.Cc1ccc(-c2ccc(F)cc2CC(=O)O)cc1.O=C(O)Cc1cc(F)ccc1-c1ccc(F)cc1.O=C(O)Cc1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3O2.C15H13FO3.C15H13FO2.C14H10F2O2/c16-15(17,18)12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-14(19)20;1-19-13-5-2-10(3-6-13)14-7-4-12(16)8-11(14)9-15(17)18;1-10-2-4-11(5-3-10)14-7-6-13(16)8-12(14)9-15(17)18;15-11-3-1-9(2-4-11)13-6-5-12(16)7-10(13)8-14(17)18/h1-8H,9H2,(H,19,20);2-8H,9H2,1H3,(H,17,18);2-8H,9H2,1H3,(H,17,18);1-7H,8H2,(H,17,18)
InChIKeyHCYINNYXKHBSSE-UHFFFAOYSA-N
MW1033.00 g/mol
LogP13.82
Rot. Bonds13

About 2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid

2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid (PubChem CID 158442146) has the molecular formula C59H47F7O9 and a molecular weight of 1033.00 g/mol. Its IUPAC name is 2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
PubChem CID158442146
Molecular FormulaC59H47F7O9
Molecular Weight1033.00 g/mol
Exact Mass1032.31
IUPAC Name2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESCOc1ccc(-c2ccc(F)cc2CC(=O)O)cc1.Cc1ccc(-c2ccc(F)cc2CC(=O)O)cc1.O=C(O)Cc1cc(F)ccc1-c1ccc(F)cc1.O=C(O)Cc1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3O2.C15H13FO3.C15H13FO2.C14H10F2O2/c16-15(17,18)12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-14(19)20;1-19-13-5-2-10(3-6-13)14-7-4-12(16)8-11(14)9-15(17)18;1-10-2-4-11(5-3-10)14-7-6-13(16)8-12(14)9-15(17)18;15-11-3-1-9(2-4-11)13-6-5-12(16)7-10(13)8-14(17)18/h1-8H,9H2,(H,19,20);2-8H,9H2,1H3,(H,17,18);2-8H,9H2,1H3,(H,17,18);1-7H,8H2,(H,17,18)
InChIKeyHCYINNYXKHBSSE-UHFFFAOYSA-N
XLogP13.82
TPSA158.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.00
LogP ≤ 513.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid (CID 158442146) is 2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid is COc1ccc(-c2ccc(F)cc2CC(=O)O)cc1.Cc1ccc(-c2ccc(F)cc2CC(=O)O)cc1.O=C(O)Cc1cc(F)ccc1-c1ccc(F)cc1.O=C(O)Cc1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid?
The InChIKey is HCYINNYXKHBSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2.C15H13FO3.C15H13FO2.C14H10F2O2/c16-15(17,18)12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-14(19)20;1-19-13-5-2-10(3-6-13)14-7-4-12(16)8-11(14)9-15(17)18;1-10-2-4-11(5-3-10)14-7-6-13(16)8-12(14)9-15(17)18;15-11-3-1-9(2-4-11)13-6-5-12(16)7-10(13)8-14(17)18/h1-8H,9H2,(H,19,20);2-8H,9H2,1H3,(H,17,18);2-8H,9H2,1H3,(H,17,18);1-7H,8H2,(H,17,18).
What are the key properties of 2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid?
2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid has a molecular weight of 1033.00 g/mol, XLogP of 13.82, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(4-fluorophenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methoxyphenyl)phenyl]acetic acid;2-[5-fluoro-2-(4-methylphenyl)phenyl]acetic acid;2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 158442146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).