4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline

C16H14FN3O — CID 71764367

IUPAC4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline
SMILESNc1ccc(-c2cnc3cc(OCCF)ccc3n2)cc1
InChIInChI=1S/C16H14FN3O/c17-7-8-21-13-5-6-14-15(9-13)19-10-16(20-14)11-1-3-12(18)4-2-11/h1-6,9-10H,7-8,18H2
InChIKeyPOFYEUQFNUHSAJ-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.23
Rot. Bonds4

About 4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline

4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline (PubChem CID 71764367) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline.

Molecular Properties

Compound Name4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline
PubChem CID71764367
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline
SMILESNc1ccc(-c2cnc3cc(OCCF)ccc3n2)cc1
InChIInChI=1S/C16H14FN3O/c17-7-8-21-13-5-6-14-15(9-13)19-10-16(20-14)11-1-3-12(18)4-2-11/h1-6,9-10H,7-8,18H2
InChIKeyPOFYEUQFNUHSAJ-UHFFFAOYSA-N
XLogP3.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline?
The IUPAC name of 4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline (CID 71764367) is 4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline.
What is the SMILES notation for 4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline?
The canonical SMILES for 4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline is Nc1ccc(-c2cnc3cc(OCCF)ccc3n2)cc1.
What is the InChIKey of 4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline?
The InChIKey is POFYEUQFNUHSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-7-8-21-13-5-6-14-15(9-13)19-10-16(20-14)11-1-3-12(18)4-2-11/h1-6,9-10H,7-8,18H2.
What are the key properties of 4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline?
4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline has a molecular weight of 283.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-fluoroethoxy)quinoxalin-2-yl]aniline is sourced from PubChem (CID 71764367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).