2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

C9H6F4O3 — CID 79021468

IUPAC2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6F4O3/c10-6-2-4(7(14)8(15)16)1-5(3-6)9(11,12)13/h1-3,7,14H,(H,15,16)
InChIKeyNGPFOEDJOGFFEM-UHFFFAOYSA-N
MW238.14 g/mol
LogP1.96
Rot. Bonds2

About 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 79021468) has the molecular formula C9H6F4O3 and a molecular weight of 238.14 g/mol. Its IUPAC name is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID79021468
Molecular FormulaC9H6F4O3
Molecular Weight238.14 g/mol
Exact Mass238.03
IUPAC Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6F4O3/c10-6-2-4(7(14)8(15)16)1-5(3-6)9(11,12)13/h1-3,7,14H,(H,15,16)
InChIKeyNGPFOEDJOGFFEM-UHFFFAOYSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
CID 70033662
3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-2,2-dimethylpropanoic acid
CID 115351240
2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
CID 175668568
2-hydroxy-2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118841259
(3S)-3-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoic acid
CID 79015931
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(prop-2-enoxycarbonylamino)acetic acid
CID 167726699
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 175586599
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 97294480
2-[acetyl(ethyl)amino]-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
CID 115350944
(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131320049
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351077
(2S)-2-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoic acid
CID 79016437

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 79021468) is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is NGPFOEDJOGFFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O3/c10-6-2-4(7(14)8(15)16)1-5(3-6)9(11,12)13/h1-3,7,14H,(H,15,16).
What are the key properties of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 238.14 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 79021468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).