2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid

C9H7F3O4 — CID 117344139

IUPAC2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(O)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C9H7F3O4/c10-9(11,12)4-1-2-6(13)5(3-4)7(14)8(15)16/h1-3,7,13-14H,(H,15,16)
InChIKeyAHSJWPVLXQRWBH-UHFFFAOYSA-N
MW236.14 g/mol
LogP1.53
Rot. Bonds2

About 2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid

2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid (PubChem CID 117344139) has the molecular formula C9H7F3O4 and a molecular weight of 236.14 g/mol. Its IUPAC name is 2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid
PubChem CID117344139
Molecular FormulaC9H7F3O4
Molecular Weight236.14 g/mol
Exact Mass236.03
IUPAC Name2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(O)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C9H7F3O4/c10-9(11,12)4-1-2-6(13)5(3-4)7(14)8(15)16/h1-3,7,13-14H,(H,15,16)
InChIKeyAHSJWPVLXQRWBH-UHFFFAOYSA-N
XLogP1.53
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131586702
(2S)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131441152
2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid
CID 134639181
2-[4,5-dihydroxy-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117383096
2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119023119
3-cyclopropyl-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoic acid
CID 117437908
2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid
CID 117300056
2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid
CID 118813097
2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid
CID 117339801
2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134624070
2-[3-amino-2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655894
2-[3-amino-2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134658053

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid (CID 117344139) is 2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid is O=C(O)C(O)c1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is AHSJWPVLXQRWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O4/c10-9(11,12)4-1-2-6(13)5(3-4)7(14)8(15)16/h1-3,7,13-14H,(H,15,16).
What are the key properties of 2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid?
2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 236.14 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 117344139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).