2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid

C15H10F4O4 — CID 118818733

IUPAC2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(-c2cccc(OC(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H10F4O4/c16-12-7-9(13(20)14(21)22)4-5-11(12)8-2-1-3-10(6-8)23-15(17,18)19/h1-7,13,20H,(H,21,22)
InChIKeyIFWAMATUITWJNH-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.51
Rot. Bonds4

About 2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid

2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid (PubChem CID 118818733) has the molecular formula C15H10F4O4 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
PubChem CID118818733
Molecular FormulaC15H10F4O4
Molecular Weight330.23 g/mol
Exact Mass330.05
IUPAC Name2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(-c2cccc(OC(F)(F)F)c2)c(F)c1
InChIInChI=1S/C15H10F4O4/c16-12-7-9(13(20)14(21)22)4-5-11(12)8-2-1-3-10(6-8)23-15(17,18)19/h1-7,13,20H,(H,21,22)
InChIKeyIFWAMATUITWJNH-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

(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134620203
2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228236
2-[2-chloro-5-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118807477
2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 134633828
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
4-fluoro-5-methyl-2-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 172914115
5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
CID 79018315
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide
CID 134627963

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid (CID 118818733) is 2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(-c2cccc(OC(F)(F)F)c2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
The InChIKey is IFWAMATUITWJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O4/c16-12-7-9(13(20)14(21)22)4-5-11(12)8-2-1-3-10(6-8)23-15(17,18)19/h1-7,13,20H,(H,21,22).
What are the key properties of 2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid?
2-[3-fluoro-4-[3-(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-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 118818733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).