3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid

C14H16F3NO2 — CID 80996749

IUPAC3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid
SMILESCC1Cc2ccccc2N(CC(C(=O)O)C(F)(F)F)C1
InChIInChI=1S/C14H16F3NO2/c1-9-6-10-4-2-3-5-12(10)18(7-9)8-11(13(19)20)14(15,16)17/h2-5,9,11H,6-8H2,1H3,(H,19,20)
InChIKeyAXQUIXQOAVYVMG-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.95
Rot. Bonds3

About 3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid

3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid (PubChem CID 80996749) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid
PubChem CID80996749
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid
SMILESCC1Cc2ccccc2N(CC(C(=O)O)C(F)(F)F)C1
InChIInChI=1S/C14H16F3NO2/c1-9-6-10-4-2-3-5-12(10)18(7-9)8-11(13(19)20)14(15,16)17/h2-5,9,11H,6-8H2,1H3,(H,19,20)
InChIKeyAXQUIXQOAVYVMG-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid with MolForge

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Related Compounds

1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63404059
2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 63531142
3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 55192460
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-enoic acid
CID 76999886
4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 63484285
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)ethanol
CID 63473067
1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902910
(2R)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-2-amine
CID 112736704
1-(ethylamino)-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63466352
1-(4-hydroxyphenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 63568293
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 63466178
1-(2,2-difluoroethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903130

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid (CID 80996749) is 3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid is CC1Cc2ccccc2N(CC(C(=O)O)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid?
The InChIKey is AXQUIXQOAVYVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-9-6-10-4-2-3-5-12(10)18(7-9)8-11(13(19)20)14(15,16)17/h2-5,9,11H,6-8H2,1H3,(H,19,20).
What are the key properties of 3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid?
3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid has a molecular weight of 287.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]propanoic acid is sourced from PubChem (CID 80996749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).