8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline

C16H9F3N2O3 — CID 164876680

IUPAC8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
SMILESO=[N+]([O-])c1ccc(Oc2cccc(C(F)(F)F)c2)c2cccnc12
InChIInChI=1S/C16H9F3N2O3/c17-16(18,19)10-3-1-4-11(9-10)24-14-7-6-13(21(22)23)15-12(14)5-2-8-20-15/h1-9H
InChIKeyRHRKBERZIVXQII-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.95
Rot. Bonds3

About 8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline

8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline (PubChem CID 164876680) has the molecular formula C16H9F3N2O3 and a molecular weight of 334.25 g/mol. Its IUPAC name is 8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline.

Molecular Properties

Compound Name8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
PubChem CID164876680
Molecular FormulaC16H9F3N2O3
Molecular Weight334.25 g/mol
Exact Mass334.06
IUPAC Name8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
SMILESO=[N+]([O-])c1ccc(Oc2cccc(C(F)(F)F)c2)c2cccnc12
InChIInChI=1S/C16H9F3N2O3/c17-16(18,19)10-3-1-4-11(9-10)24-14-7-6-13(21(22)23)15-12(14)5-2-8-20-15/h1-9H
InChIKeyRHRKBERZIVXQII-UHFFFAOYSA-N
XLogP4.95
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-nitro-5-[3-(trifluoromethyl)phenoxy]isoquinoline
CID 4795340
4-(8-nitroquinolin-5-yl)oxyaniline
CID 8002854
N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine
CID 152521142
2-(8-nitroquinolin-5-yl)oxyaniline
CID 61027570
trifluoro-[(8-nitroquinolin-5-yl)oxymethyl]boranuide
CID 116525706
5-(2-bromo-3,3,3-trifluoropropoxy)-8-nitroquinoline
CID 116525103
6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine
CID 61057396
5-(8-nitroquinolin-5-yl)oxypyrazin-2-amine
CID 116525775
5-nitro-2-[3-(trifluoromethyl)phenoxy]aniline
CID 62507654
(8-nitroquinolin-5-yl) carbonochloridate
CID 116525781
2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 2779612
8-(4-iodophenoxy)-5-nitroquinoline
CID 60726010

Frequently Asked Questions

What is the IUPAC name of 8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline?
The IUPAC name of 8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline (CID 164876680) is 8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline.
What is the SMILES notation for 8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline?
The canonical SMILES for 8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline is O=[N+]([O-])c1ccc(Oc2cccc(C(F)(F)F)c2)c2cccnc12.
What is the InChIKey of 8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline?
The InChIKey is RHRKBERZIVXQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O3/c17-16(18,19)10-3-1-4-11(9-10)24-14-7-6-13(21(22)23)15-12(14)5-2-8-20-15/h1-9H.
What are the key properties of 8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline?
8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline has a molecular weight of 334.25 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline is sourced from PubChem (CID 164876680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).