8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline

C15H13FN2O3 — CID 62378003

IUPAC8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline
SMILESO=[N+]([O-])c1ccc(F)cc1Oc1cccc2c1NCCC2
InChIInChI=1S/C15H13FN2O3/c16-11-6-7-12(18(19)20)14(9-11)21-13-5-1-3-10-4-2-8-17-15(10)13/h1,3,5-7,9,17H,2,4,8H2
InChIKeyKSYNQWRAZKLCNE-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.88
Rot. Bonds3

About 8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline

8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 62378003) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID62378003
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline
SMILESO=[N+]([O-])c1ccc(F)cc1Oc1cccc2c1NCCC2
InChIInChI=1S/C15H13FN2O3/c16-11-6-7-12(18(19)20)14(9-11)21-13-5-1-3-10-4-2-8-17-15(10)13/h1,3,5-7,9,17H,2,4,8H2
InChIKeyKSYNQWRAZKLCNE-UHFFFAOYSA-N
XLogP3.88
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
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-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline
CID 61025966
8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 62475365
2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile
CID 61026238
2-[2-(chloromethyl)-4-fluorophenoxy]-4-fluoro-1-nitrobenzene
CID 61031561
8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline
CID 139601365
[2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 61031552
8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61026787
1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 60726170
5-chloro-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzamide
CID 62494221
2-(4-bromophenoxy)-4-fluoro-1-nitrobenzene
CID 62377093
1-(5-fluoro-2-nitrophenoxy)-2-nitro-4-(trifluoromethyl)benzene
CID 9311790
2-(cyclohexylmethoxy)-4-fluoro-1-nitrobenzene
CID 58735850

Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline (CID 62378003) is 8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline is O=[N+]([O-])c1ccc(F)cc1Oc1cccc2c1NCCC2.
What is the InChIKey of 8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is KSYNQWRAZKLCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-11-6-7-12(18(19)20)14(9-11)21-13-5-1-3-10-4-2-8-17-15(10)13/h1,3,5-7,9,17H,2,4,8H2.
What are the key properties of 8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline?
8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 288.28 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 62378003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).