2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline

C22H14F4N2O — CID 100921636

IUPAC2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline
SMILESFc1ccc(OCc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C22H14F4N2O/c23-16-7-9-17(10-8-16)29-13-20-21(14-4-2-1-3-5-14)28-19-12-15(22(24,25)26)6-11-18(19)27-20/h1-12H,13H2
InChIKeyJGUXSMKKONRCCL-UHFFFAOYSA-N
MW398.36 g/mol
LogP6.03
Rot. Bonds4

About 2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline

2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline (PubChem CID 100921636) has the molecular formula C22H14F4N2O and a molecular weight of 398.36 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline
PubChem CID100921636
Molecular FormulaC22H14F4N2O
Molecular Weight398.36 g/mol
Exact Mass398.10
IUPAC Name2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline
SMILESFc1ccc(OCc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C22H14F4N2O/c23-16-7-9-17(10-8-16)29-13-20-21(14-4-2-1-3-5-14)28-19-12-15(22(24,25)26)6-11-18(19)27-20/h1-12H,13H2
InChIKeyJGUXSMKKONRCCL-UHFFFAOYSA-N
XLogP6.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.36
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-(fluoromethyl)-3-phenylquinoxaline
CID 118672012
6-fluoro-2,3-diphenylquinoxaline
CID 3700648
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
2-(2-fluorophenyl)-6-[3-(2-fluorophenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;2-(3-fluorophenyl)-6-[3-(3-fluorophenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;2-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;3-(2-fluorophenyl)-6-[3-(2-fluorophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline;3-(3-fluorophenyl)-6-[3-(3-fluorophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline;3-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline;2-phenyl-6-[3-phenyl-2-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline;2-phenyl-6-[3-phenyl-2-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
CID 158181187
2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline
CID 10596297
2-(4-fluorophenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline
CID 2765463
3-phenyl-7-(trifluoromethyl)quinoline
CID 86031404
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene
CID 141120008
(Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine
CID 155554480
4-(4-fluorophenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 102333222
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline (CID 100921636) is 2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline is Fc1ccc(OCc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline?
The InChIKey is JGUXSMKKONRCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N2O/c23-16-7-9-17(10-8-16)29-13-20-21(14-4-2-1-3-5-14)28-19-12-15(22(24,25)26)6-11-18(19)27-20/h1-12H,13H2.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline?
2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline has a molecular weight of 398.36 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 100921636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).