2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid

C11H8F6O3 — CID 134623020

IUPAC2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid
SMILESCc1c(C(O)C(=O)O)ccc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C11H8F6O3/c1-4-5(8(18)9(19)20)2-3-6(10(12,13)14)7(4)11(15,16)17/h2-3,8,18H,1H3,(H,19,20)
InChIKeyVEPURIFSOWIDPR-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.15
Rot. Bonds2

About 2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid

2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid (PubChem CID 134623020) has the molecular formula C11H8F6O3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid
PubChem CID134623020
Molecular FormulaC11H8F6O3
Molecular Weight302.17 g/mol
Exact Mass302.04
IUPAC Name2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid
SMILESCc1c(C(O)C(=O)O)ccc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C11H8F6O3/c1-4-5(8(18)9(19)20)2-3-6(10(12,13)14)7(4)11(15,16)17/h2-3,8,18H,1H3,(H,19,20)
InChIKeyVEPURIFSOWIDPR-UHFFFAOYSA-N
XLogP3.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,3-dihydroxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117383098
2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118997873
2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655874
2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118995986
2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 119019485
2-hydroxy-2-[6-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-9-yl]acetic acid
CID 117471799
2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215
2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131307202
2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119023119
2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid
CID 134638427
2-hydroxy-2-[6-nitro-2,3-bis(trifluoromethyl)phenyl]acetic acid
CID 119002692
2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid
CID 134639181

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid (CID 134623020) is 2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid is Cc1c(C(O)C(=O)O)ccc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid?
The InChIKey is VEPURIFSOWIDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O3/c1-4-5(8(18)9(19)20)2-3-6(10(12,13)14)7(4)11(15,16)17/h2-3,8,18H,1H3,(H,19,20).
What are the key properties of 2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid?
2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid has a molecular weight of 302.17 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 134623020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).