2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid

C15H10F4O4 — CID 118807454

IUPAC2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1F
InChIInChI=1S/C15H10F4O4/c16-12-6-3-9(7-11(12)13(20)14(21)22)8-1-4-10(5-2-8)23-15(17,18)19/h1-7,13,20H,(H,21,22)
InChIKeyZSBAQDMLEILCFC-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.51
Rot. Bonds4

About 2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid

2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid (PubChem CID 118807454) has the molecular formula C15H10F4O4 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
PubChem CID118807454
Molecular FormulaC15H10F4O4
Molecular Weight330.23 g/mol
Exact Mass330.05
IUPAC Name2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1F
InChIInChI=1S/C15H10F4O4/c16-12-6-3-9(7-11(12)13(20)14(21)22)8-1-4-10(5-2-8)23-15(17,18)19/h1-7,13,20H,(H,21,22)
InChIKeyZSBAQDMLEILCFC-UHFFFAOYSA-N
XLogP3.51
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 134633857
2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118807477
2-[2-fluoro-5-(3-fluorophenyl)phenyl]-2-hydroxyacetic acid
CID 46312557
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
2-[2-formyl-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170998128
2-[3-amino-2-chloro-5-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134655883
2-[5-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 46313392
2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid
CID 117339801
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
2-hydroxy-2-[2-nitro-4-(trifluoromethoxy)phenyl]acetic acid
CID 134656084
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
3-fluoro-5-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228260

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid (CID 118807454) is 2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
The InChIKey is ZSBAQDMLEILCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O4/c16-12-6-3-9(7-11(12)13(20)14(21)22)8-1-4-10(5-2-8)23-15(17,18)19/h1-7,13,20H,(H,21,22).
What are the key properties of 2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid has a molecular weight of 330.23 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 118807454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).