2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid

C12H11F3O5 — CID 134658013

IUPAC2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid
SMILESCC(=O)Cc1cc(C(O)C(=O)O)ccc1OC(F)(F)F
InChIInChI=1S/C12H11F3O5/c1-6(16)4-8-5-7(10(17)11(18)19)2-3-9(8)20-12(13,14)15/h2-3,5,10,17H,4H2,1H3,(H,18,19)
InChIKeyAWMSPDPATQDGCV-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.83
Rot. Bonds5

About 2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid

2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid (PubChem CID 134658013) has the molecular formula C12H11F3O5 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid
PubChem CID134658013
Molecular FormulaC12H11F3O5
Molecular Weight292.21 g/mol
Exact Mass292.06
IUPAC Name2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid
SMILESCC(=O)Cc1cc(C(O)C(=O)O)ccc1OC(F)(F)F
InChIInChI=1S/C12H11F3O5/c1-6(16)4-8-5-7(10(17)11(18)19)2-3-9(8)20-12(13,14)15/h2-3,5,10,17H,4H2,1H3,(H,18,19)
InChIKeyAWMSPDPATQDGCV-UHFFFAOYSA-N
XLogP1.83
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-bromo-4-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170997689
2-hydroxy-2-[3-sulfanyl-4-(trifluoromethoxy)phenyl]acetic acid
CID 170999310
2-[3-(2-bromopropanoyl)-4-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134657995
2-hydroxy-2-[3-(hydroxymethyl)-4-(2-oxopropyl)phenyl]acetic acid
CID 134657390
2-[4-(2-cyanoethyl)-3-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134657969
2-hydroxy-2-[4-nitro-3-(trifluoromethoxy)phenyl]acetic acid
CID 134656054
1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
CID 84680200
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid
CID 57059044
2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118835656
2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid
CID 170999461
2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid
CID 146676073

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid (CID 134658013) is 2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid is CC(=O)Cc1cc(C(O)C(=O)O)ccc1OC(F)(F)F.
What is the InChIKey of 2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid?
The InChIKey is AWMSPDPATQDGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O5/c1-6(16)4-8-5-7(10(17)11(18)19)2-3-9(8)20-12(13,14)15/h2-3,5,10,17H,4H2,1H3,(H,18,19).
What are the key properties of 2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid?
2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid has a molecular weight of 292.21 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-(2-oxopropyl)-4-(trifluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 134658013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).