4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline

C15H14F2N2 — CID 79015275

IUPAC4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
SMILESFc1ccc(CN2CCNc3ccccc32)cc1F
InChIInChI=1S/C15H14F2N2/c16-12-6-5-11(9-13(12)17)10-19-8-7-18-14-3-1-2-4-15(14)19/h1-6,9,18H,7-8,10H2
InChIKeyOWAWXEDJYGAJSF-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.40
Rot. Bonds2

About 4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline

4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline (PubChem CID 79015275) has the molecular formula C15H14F2N2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
PubChem CID79015275
Molecular FormulaC15H14F2N2
Molecular Weight260.29 g/mol
Exact Mass260.11
IUPAC Name4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
SMILESFc1ccc(CN2CCNc3ccccc32)cc1F
InChIInChI=1S/C15H14F2N2/c16-12-6-5-11(9-13(12)17)10-19-8-7-18-14-3-1-2-4-15(14)19/h1-6,9,18H,7-8,10H2
InChIKeyOWAWXEDJYGAJSF-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 107883138
4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 60811841
4-[(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 65317921
4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline
CID 60922941
4-(thiophen-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 60810607
5-[(3-bromo-5-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311446
1-[(3,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104558354
4-ethyl-2,3-dihydro-1H-quinoxaline
CID 3056887
6,7-difluoro-4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 82156719
5-[(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311322
4-fluoro-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzonitrile
CID 115311380
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one
CID 136520306

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline (CID 79015275) is 4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline is Fc1ccc(CN2CCNc3ccccc32)cc1F.
What is the InChIKey of 4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline?
The InChIKey is OWAWXEDJYGAJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2/c16-12-6-5-11(9-13(12)17)10-19-8-7-18-14-3-1-2-4-15(14)19/h1-6,9,18H,7-8,10H2.
What are the key properties of 4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline?
4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline has a molecular weight of 260.29 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 79015275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).