2-fluoro-6-quinolin-6-ylaniline

C15H11FN2 — CID 107602869

IUPAC2-fluoro-6-quinolin-6-ylaniline
SMILESNc1c(F)cccc1-c1ccc2ncccc2c1
InChIInChI=1S/C15H11FN2/c16-13-5-1-4-12(15(13)17)10-6-7-14-11(9-10)3-2-8-18-14/h1-9H,17H2
InChIKeyXCPUBPATGNHZHF-UHFFFAOYSA-N
MW238.27 g/mol
LogP3.62
Rot. Bonds1

About 2-fluoro-6-quinolin-6-ylaniline

2-fluoro-6-quinolin-6-ylaniline (PubChem CID 107602869) has the molecular formula C15H11FN2 and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-fluoro-6-quinolin-6-ylaniline.

Molecular Properties

Compound Name2-fluoro-6-quinolin-6-ylaniline
PubChem CID107602869
Molecular FormulaC15H11FN2
Molecular Weight238.27 g/mol
Exact Mass238.09
IUPAC Name2-fluoro-6-quinolin-6-ylaniline
SMILESNc1c(F)cccc1-c1ccc2ncccc2c1
InChIInChI=1S/C15H11FN2/c16-13-5-1-4-12(15(13)17)10-6-7-14-11(9-10)3-2-8-18-14/h1-9H,17H2
InChIKeyXCPUBPATGNHZHF-UHFFFAOYSA-N
XLogP3.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-quinolin-6-ylaniline?
The IUPAC name of 2-fluoro-6-quinolin-6-ylaniline (CID 107602869) is 2-fluoro-6-quinolin-6-ylaniline.
What is the SMILES notation for 2-fluoro-6-quinolin-6-ylaniline?
The canonical SMILES for 2-fluoro-6-quinolin-6-ylaniline is Nc1c(F)cccc1-c1ccc2ncccc2c1.
What is the InChIKey of 2-fluoro-6-quinolin-6-ylaniline?
The InChIKey is XCPUBPATGNHZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2/c16-13-5-1-4-12(15(13)17)10-6-7-14-11(9-10)3-2-8-18-14/h1-9H,17H2.
What are the key properties of 2-fluoro-6-quinolin-6-ylaniline?
2-fluoro-6-quinolin-6-ylaniline has a molecular weight of 238.27 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-quinolin-6-ylaniline is sourced from PubChem (CID 107602869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).