2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde

C11H12F2N2O — CID 83850057

IUPAC2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde
SMILESCN1CCN(CC=O)c2c1ccc(F)c2F
InChIInChI=1S/C11H12F2N2O/c1-14-4-5-15(6-7-16)11-9(14)3-2-8(12)10(11)13/h2-3,7H,4-6H2,1H3
InChIKeyNZOVGAUGHPFWOJ-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.42
Rot. Bonds2

About 2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde

2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde (PubChem CID 83850057) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde
PubChem CID83850057
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde
SMILESCN1CCN(CC=O)c2c1ccc(F)c2F
InChIInChI=1S/C11H12F2N2O/c1-14-4-5-15(6-7-16)11-9(14)3-2-8(12)10(11)13/h2-3,7H,4-6H2,1H3
InChIKeyNZOVGAUGHPFWOJ-UHFFFAOYSA-N
XLogP1.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde?
The IUPAC name of 2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde (CID 83850057) is 2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde?
The canonical SMILES for 2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde is CN1CCN(CC=O)c2c1ccc(F)c2F.
What is the InChIKey of 2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde?
The InChIKey is NZOVGAUGHPFWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-14-4-5-15(6-7-16)11-9(14)3-2-8(12)10(11)13/h2-3,7H,4-6H2,1H3.
What are the key properties of 2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde?
2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde has a molecular weight of 226.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-difluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)acetaldehyde is sourced from PubChem (CID 83850057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).