3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one

C13H6F3NO2 — CID 134855870

IUPAC3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one
SMILESO=c1cc(C(F)(F)F)oc2ccc3ncccc3c12
InChIInChI=1S/C13H6F3NO2/c14-13(15,16)11-6-9(18)12-7-2-1-5-17-8(7)3-4-10(12)19-11/h1-6H
InChIKeyXEFSSLHELZWGSK-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.36
Rot. Bonds

About 3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one

3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one (PubChem CID 134855870) has the molecular formula C13H6F3NO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one
PubChem CID134855870
Molecular FormulaC13H6F3NO2
Molecular Weight265.19 g/mol
Exact Mass265.04
IUPAC Name3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one
SMILESO=c1cc(C(F)(F)F)oc2ccc3ncccc3c12
InChIInChI=1S/C13H6F3NO2/c14-13(15,16)11-6-9(18)12-7-2-1-5-17-8(7)3-4-10(12)19-11/h1-6H
InChIKeyXEFSSLHELZWGSK-UHFFFAOYSA-N
XLogP3.36
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one?
The IUPAC name of 3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one (CID 134855870) is 3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one.
What is the SMILES notation for 3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one?
The canonical SMILES for 3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one is O=c1cc(C(F)(F)F)oc2ccc3ncccc3c12.
What is the InChIKey of 3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one?
The InChIKey is XEFSSLHELZWGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3NO2/c14-13(15,16)11-6-9(18)12-7-2-1-5-17-8(7)3-4-10(12)19-11/h1-6H.
What are the key properties of 3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one?
3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one has a molecular weight of 265.19 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrano[3,2-f]quinolin-1-one is sourced from PubChem (CID 134855870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).