2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid

C12H10F6O3 — CID 118997873

IUPAC2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESCCc1ccc(C(F)(F)F)c(C(F)(F)F)c1C(O)C(=O)O
InChIInChI=1S/C12H10F6O3/c1-2-5-3-4-6(11(13,14)15)8(12(16,17)18)7(5)9(19)10(20)21/h3-4,9,19H,2H2,1H3,(H,20,21)
InChIKeyIWSXJPMQHYUJGI-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.40
Rot. Bonds3

About 2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid

2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 118997873) has the molecular formula C12H10F6O3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID118997873
Molecular FormulaC12H10F6O3
Molecular Weight316.20 g/mol
Exact Mass316.05
IUPAC Name2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESCCc1ccc(C(F)(F)F)c(C(F)(F)F)c1C(O)C(=O)O
InChIInChI=1S/C12H10F6O3/c1-2-5-3-4-6(11(13,14)15)8(12(16,17)18)7(5)9(19)10(20)21/h3-4,9,19H,2H2,1H3,(H,20,21)
InChIKeyIWSXJPMQHYUJGI-UHFFFAOYSA-N
XLogP3.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655874
6-ethyl-2,3-bis(trifluoromethyl)benzoic acid
CID 119018149
2-hydroxy-2-[6-nitro-2,3-bis(trifluoromethyl)phenyl]acetic acid
CID 119002692
2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 134623020
2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118995986
2-[4-ethyl-3,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 135742818
1-ethyl-2-methylsulfanyl-3,4-bis(trifluoromethyl)benzene
CID 135742843
2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134658062
6-ethyl-2,3-bis(trifluoromethyl)benzonitrile
CID 135742790
(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 57032402
2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655848
2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352963

Frequently Asked Questions

What is the IUPAC name of 2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 118997873) is 2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid is CCc1ccc(C(F)(F)F)c(C(F)(F)F)c1C(O)C(=O)O.
What is the InChIKey of 2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is IWSXJPMQHYUJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6O3/c1-2-5-3-4-6(11(13,14)15)8(12(16,17)18)7(5)9(19)10(20)21/h3-4,9,19H,2H2,1H3,(H,20,21).
What are the key properties of 2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 316.20 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 118997873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).