(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid

C9H7F3O4 — CID 96874577

IUPAC(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
SMILESO=C(O)[C@H](O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H7F3O4/c10-9(11,12)16-6-3-1-2-5(4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15)/t7-/m1/s1
InChIKeyCANNFMISEMEBIT-SSDOTTSWSA-N
MW236.14 g/mol
LogP1.70
Rot. Bonds3

About (2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid

(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid (PubChem CID 96874577) has the molecular formula C9H7F3O4 and a molecular weight of 236.14 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
PubChem CID96874577
Molecular FormulaC9H7F3O4
Molecular Weight236.14 g/mol
Exact Mass236.03
IUPAC Name(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
SMILESO=C(O)[C@H](O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H7F3O4/c10-9(11,12)16-6-3-1-2-5(4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15)/t7-/m1/s1
InChIKeyCANNFMISEMEBIT-SSDOTTSWSA-N
XLogP1.70
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 107104802
2-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118818733
2-methyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-ol
CID 107104976
3,4-dihydroxy-4-[3-(trifluoromethoxy)phenyl]butanoic acid
CID 171878263
2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]pentanoic acid
CID 107105212
2-amino-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104709
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
2-chloro-2-[3-(trifluoromethoxy)phenyl]acetyl chloride
CID 87204041
3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 53441902
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid?
The IUPAC name of (2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid (CID 96874577) is (2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid is O=C(O)[C@H](O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid?
The InChIKey is CANNFMISEMEBIT-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H7F3O4/c10-9(11,12)16-6-3-1-2-5(4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid?
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid has a molecular weight of 236.14 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 96874577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).