6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline

C15H8ClF3N2O — CID 14255780

IUPAC6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline
SMILESFC(F)(F)c1ccc(Oc2ccc3nccnc3c2)c(Cl)c1
InChIInChI=1S/C15H8ClF3N2O/c16-11-7-9(15(17,18)19)1-4-14(11)22-10-2-3-12-13(8-10)21-6-5-20-12/h1-8H
InChIKeyNTKLFTMQPZORAO-UHFFFAOYSA-N
MW324.69 g/mol
LogP5.09
Rot. Bonds2

About 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline

6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline (PubChem CID 14255780) has the molecular formula C15H8ClF3N2O and a molecular weight of 324.69 g/mol. Its IUPAC name is 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline.

Molecular Properties

Compound Name6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline
PubChem CID14255780
Molecular FormulaC15H8ClF3N2O
Molecular Weight324.69 g/mol
Exact Mass324.03
IUPAC Name6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline
SMILESFC(F)(F)c1ccc(Oc2ccc3nccnc3c2)c(Cl)c1
InChIInChI=1S/C15H8ClF3N2O/c16-11-7-9(15(17,18)19)1-4-14(11)22-10-2-3-12-13(8-10)21-6-5-20-12/h1-8H
InChIKeyNTKLFTMQPZORAO-UHFFFAOYSA-N
XLogP5.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.69
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-chloro-4-(trifluoromethyl)phenoxy]quinolin-3-amine
CID 14279953
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 15574482
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
6-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 154400368
CID 89104061
CID 89104061
1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene
CID 20554022
6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
CID 143273839
1-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylbenzene
CID 20524737
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
2-chloro-1-(4-chloro-3-dimethoxyphosphorylphenoxy)-4-(trifluoromethyl)benzene
CID 54063494
2-chloro-1-[3-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]disulfanyl]-4-nitrophenoxy]-4-(trifluoromethyl)benzene
CID 13246607

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline?
The IUPAC name of 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline (CID 14255780) is 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline.
What is the SMILES notation for 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline?
The canonical SMILES for 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline is FC(F)(F)c1ccc(Oc2ccc3nccnc3c2)c(Cl)c1.
What is the InChIKey of 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline?
The InChIKey is NTKLFTMQPZORAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O/c16-11-7-9(15(17,18)19)1-4-14(11)22-10-2-3-12-13(8-10)21-6-5-20-12/h1-8H.
What are the key properties of 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline?
6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline has a molecular weight of 324.69 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline is sourced from PubChem (CID 14255780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).