4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid

C13H10F3NO3 — CID 63073292

IUPAC4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid
SMILESO=C(O)CC(Oc1cccc2cccnc12)C(F)(F)F
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)10(7-11(18)19)20-9-5-1-3-8-4-2-6-17-12(8)9/h1-6,10H,7H2,(H,18,19)
InChIKeyMIJYOKSSMCUVLI-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.02
Rot. Bonds4

About 4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid

4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid (PubChem CID 63073292) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid
PubChem CID63073292
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid
SMILESO=C(O)CC(Oc1cccc2cccnc12)C(F)(F)F
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)10(7-11(18)19)20-9-5-1-3-8-4-2-6-17-12(8)9/h1-6,10H,7H2,(H,18,19)
InChIKeyMIJYOKSSMCUVLI-UHFFFAOYSA-N
XLogP3.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyphenoxy)-4,4,4-trifluorobutanoic acid
CID 55182429
2-quinolin-8-yloxypentan-3-one
CID 64868229
2-quinolin-8-yloxybutanamide
CID 62901439
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
3-(quinolin-8-yloxycarbonylamino)propanoic acid
CID 116819716
3,3,3-trifluoro-2-(quinolin-8-yloxymethyl)propanethioamide
CID 103369087
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
2-amino-2-methyl-4-quinolin-8-yloxypentanamide
CID 64706156
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
2-quinolin-8-yloxyacetate
CID 6950984
4-quinolin-8-yloxybenzoic acid
CID 28825287
2-quinolin-8-yloxybutanehydrazide
CID 63575214

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid (CID 63073292) is 4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid is O=C(O)CC(Oc1cccc2cccnc12)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid?
The InChIKey is MIJYOKSSMCUVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c14-13(15,16)10(7-11(18)19)20-9-5-1-3-8-4-2-6-17-12(8)9/h1-6,10H,7H2,(H,18,19).
What are the key properties of 4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid?
4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid has a molecular weight of 285.22 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-quinolin-8-yloxybutanoic acid is sourced from PubChem (CID 63073292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).