(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

C9H6F4O3 — CID 57032402

IUPAC(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C9H6F4O3/c10-5-3-1-2-4(9(11,12)13)6(5)7(14)8(15)16/h1-3,7,14H,(H,15,16)/t7-/m1/s1
InChIKeyVZBKFZCBRHUIIG-SSDOTTSWSA-N
MW238.14 g/mol
LogP1.96
Rot. Bonds2

About (2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid

(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 57032402) has the molecular formula C9H6F4O3 and a molecular weight of 238.14 g/mol. Its IUPAC name is (2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID57032402
Molecular FormulaC9H6F4O3
Molecular Weight238.14 g/mol
Exact Mass238.03
IUPAC Name(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C9H6F4O3/c10-5-3-1-2-4(9(11,12)13)6(5)7(14)8(15)16/h1-3,7,14H,(H,15,16)/t7-/m1/s1
InChIKeyVZBKFZCBRHUIIG-SSDOTTSWSA-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

(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetamide
CID 99645736
(2S)-2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 66512908
2-[2-(3-fluorophenyl)-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 46313376
2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134658062
2-(dichloromethyl)-1-fluoro-3-(trifluoromethyl)benzene
CID 16743979
(2S,3S)-3-amino-1,1,1-trifluoro-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-2-ol
CID 171269053
2-[2-(3,5-dichlorophenyl)-6-fluorophenyl]-2-hydroxyacetic acid
CID 134633829
2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118995986
(1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 131585699
2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
CID 77129940
2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655848
(1R,2S)-1-amino-1-[2-fluoro-6-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol
CID 171263389

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 57032402) is (2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is O=C(O)[C@H](O)c1c(F)cccc1C(F)(F)F.
What is the InChIKey of (2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is VZBKFZCBRHUIIG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H6F4O3/c10-5-3-1-2-4(9(11,12)13)6(5)7(14)8(15)16/h1-3,7,14H,(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
(2R)-2-[2-fluoro-6-(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 (2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 57032402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).