8-(trifluoromethyl)quinoline-6-carbaldehyde

C11H6F3NO — CID 87213949

IUPAC8-(trifluoromethyl)quinoline-6-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)c2ncccc2c1
InChIInChI=1S/C11H6F3NO/c12-11(13,14)9-5-7(6-16)4-8-2-1-3-15-10(8)9/h1-6H
InChIKeyNADKNRNGFDBIJS-UHFFFAOYSA-N
MW225.17 g/mol
LogP3.07
Rot. Bonds1

About 8-(trifluoromethyl)quinoline-6-carbaldehyde

8-(trifluoromethyl)quinoline-6-carbaldehyde (PubChem CID 87213949) has the molecular formula C11H6F3NO and a molecular weight of 225.17 g/mol. Its IUPAC name is 8-(trifluoromethyl)quinoline-6-carbaldehyde.

Molecular Properties

Compound Name8-(trifluoromethyl)quinoline-6-carbaldehyde
PubChem CID87213949
Molecular FormulaC11H6F3NO
Molecular Weight225.17 g/mol
Exact Mass225.04
IUPAC Name8-(trifluoromethyl)quinoline-6-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)c2ncccc2c1
InChIInChI=1S/C11H6F3NO/c12-11(13,14)9-5-7(6-16)4-8-2-1-3-15-10(8)9/h1-6H
InChIKeyNADKNRNGFDBIJS-UHFFFAOYSA-N
XLogP3.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)quinoline-6-carbaldehyde?
The IUPAC name of 8-(trifluoromethyl)quinoline-6-carbaldehyde (CID 87213949) is 8-(trifluoromethyl)quinoline-6-carbaldehyde.
What is the SMILES notation for 8-(trifluoromethyl)quinoline-6-carbaldehyde?
The canonical SMILES for 8-(trifluoromethyl)quinoline-6-carbaldehyde is O=Cc1cc(C(F)(F)F)c2ncccc2c1.
What is the InChIKey of 8-(trifluoromethyl)quinoline-6-carbaldehyde?
The InChIKey is NADKNRNGFDBIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO/c12-11(13,14)9-5-7(6-16)4-8-2-1-3-15-10(8)9/h1-6H.
What are the key properties of 8-(trifluoromethyl)quinoline-6-carbaldehyde?
8-(trifluoromethyl)quinoline-6-carbaldehyde has a molecular weight of 225.17 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)quinoline-6-carbaldehyde is sourced from PubChem (CID 87213949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).