2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid

C13H14F3NO2 — CID 18959622

IUPAC2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid
SMILESCN1c2ccc(CC(=O)O)cc2CCC1C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-17-10-4-2-8(7-12(18)19)6-9(10)3-5-11(17)13(14,15)16/h2,4,6,11H,3,5,7H2,1H3,(H,18,19)
InChIKeyUKFHCAFHGJBBCN-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.63
Rot. Bonds2

About 2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid

2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid (PubChem CID 18959622) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid
PubChem CID18959622
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid
SMILESCN1c2ccc(CC(=O)O)cc2CCC1C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-17-10-4-2-8(7-12(18)19)6-9(10)3-5-11(17)13(14,15)16/h2,4,6,11H,3,5,7H2,1H3,(H,18,19)
InChIKeyUKFHCAFHGJBBCN-UHFFFAOYSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid?
The IUPAC name of 2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid (CID 18959622) is 2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid.
What is the SMILES notation for 2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid?
The canonical SMILES for 2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid is CN1c2ccc(CC(=O)O)cc2CCC1C(F)(F)F.
What is the InChIKey of 2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid?
The InChIKey is UKFHCAFHGJBBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-17-10-4-2-8(7-12(18)19)6-9(10)3-5-11(17)13(14,15)16/h2,4,6,11H,3,5,7H2,1H3,(H,18,19).
What are the key properties of 2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid?
2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid has a molecular weight of 273.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid is sourced from PubChem (CID 18959622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).