2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid

C12H8F3NO2 — CID 18755234

IUPAC2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid
SMILESO=C(O)Cc1ccc2nc(C(F)(F)F)ccc2c1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)10-4-2-8-5-7(6-11(17)18)1-3-9(8)16-10/h1-5H,6H2,(H,17,18)
InChIKeyFAPVKZMQDZDPPT-UHFFFAOYSA-N
MW255.19 g/mol
LogP2.88
Rot. Bonds2

About 2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid

2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid (PubChem CID 18755234) has the molecular formula C12H8F3NO2 and a molecular weight of 255.19 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid
PubChem CID18755234
Molecular FormulaC12H8F3NO2
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Name2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid
SMILESO=C(O)Cc1ccc2nc(C(F)(F)F)ccc2c1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)10-4-2-8-5-7(6-11(17)18)1-3-9(8)16-10/h1-5H,6H2,(H,17,18)
InChIKeyFAPVKZMQDZDPPT-UHFFFAOYSA-N
XLogP2.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mefloquine carboxylic acid
CID 169721
6-Methyl-2-phenylquinoline-4-carboxylic acid
CID 698707
2-Cyclopropylquinoline-4-carboxylic acid
CID 275785
2-Methylquinoline-4-carboxylic acid
CID 604442
1,2,3,4-Tetrahydro-9-acridinecarboxylic acid
CID 96891
3-(Quinolin-2-yl)propanoic acid
CID 264313
2,6-Dimethyl-4-quinolinecarboxylic acid
CID 787722
2-Methylquinoline-6-carboxylic acid
CID 604483
7,8,9,10-Tetrahydro-6H-cyclohepta(b)quinoline-11-carboxylic acid
CID 617724
3-(Carboxymethyl)-6-methyl-2-phenylquinoline-4-carboxylic acid
CID 712888
2-Ethyl-3-methyl-quinoline-4-carboxylic acid
CID 865215
2-(2-Methyl-4-phenylquinolin-3-yl)acetic acid
CID 2113303

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid?
The IUPAC name of 2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid (CID 18755234) is 2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid is O=C(O)Cc1ccc2nc(C(F)(F)F)ccc2c1.
What is the InChIKey of 2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid?
The InChIKey is FAPVKZMQDZDPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c13-12(14,15)10-4-2-8-5-7(6-11(17)18)1-3-9(8)16-10/h1-5H,6H2,(H,17,18).
What are the key properties of 2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid?
2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid has a molecular weight of 255.19 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)quinolin-6-yl]acetic acid is sourced from PubChem (CID 18755234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).