4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid

C13H10F3NO3 — CID 66277591

IUPAC4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid
SMILESCC(Oc1cc(C(=O)O)nc2ccccc12)C(F)(F)F
InChIInChI=1S/C13H10F3NO3/c1-7(13(14,15)16)20-11-6-10(12(18)19)17-9-5-3-2-4-8(9)11/h2-7H,1H3,(H,18,19)
InChIKeyQUGMPYDGILYYAC-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.26
Rot. Bonds3

About 4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid

4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid (PubChem CID 66277591) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid
PubChem CID66277591
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid
SMILESCC(Oc1cc(C(=O)O)nc2ccccc12)C(F)(F)F
InChIInChI=1S/C13H10F3NO3/c1-7(13(14,15)16)20-11-6-10(12(18)19)17-9-5-3-2-4-8(9)11/h2-7H,1H3,(H,18,19)
InChIKeyQUGMPYDGILYYAC-UHFFFAOYSA-N
XLogP3.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid?
The IUPAC name of 4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid (CID 66277591) is 4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid is CC(Oc1cc(C(=O)O)nc2ccccc12)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid?
The InChIKey is QUGMPYDGILYYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c1-7(13(14,15)16)20-11-6-10(12(18)19)17-9-5-3-2-4-8(9)11/h2-7H,1H3,(H,18,19).
What are the key properties of 4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid?
4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid has a molecular weight of 285.22 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluoropropan-2-yloxy)quinoline-2-carboxylic acid is sourced from PubChem (CID 66277591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).