1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one

C24H15ClF4N2O2 — CID 147338407

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc(Oc2ccc3nccnc3c2)cc1F
InChIInChI=1S/C24H15ClF4N2O2/c25-20-5-1-14(10-19(20)24(27,28)29)9-16(32)11-15-2-3-17(12-21(15)26)33-18-4-6-22-23(13-18)31-8-7-30-22/h1-8,10,12-13H,9,11H2
InChIKeyDCZUDTRRTURXLY-UHFFFAOYSA-N
MW474.84 g/mol
LogP6.59
Rot. Bonds6

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one (PubChem CID 147338407) has the molecular formula C24H15ClF4N2O2 and a molecular weight of 474.84 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one
PubChem CID147338407
Molecular FormulaC24H15ClF4N2O2
Molecular Weight474.84 g/mol
Exact Mass474.08
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc(Oc2ccc3nccnc3c2)cc1F
InChIInChI=1S/C24H15ClF4N2O2/c25-20-5-1-14(10-19(20)24(27,28)29)9-16(32)11-15-2-3-17(12-21(15)26)33-18-4-6-22-23(13-18)31-8-7-30-22/h1-8,10,12-13H,9,11H2
InChIKeyDCZUDTRRTURXLY-UHFFFAOYSA-N
XLogP6.59
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.84
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-3-fluorophenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
CID 152922083
4-[4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-4-oxobutanoic acid
CID 158527066
4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 58674628
4-[4-[[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 68784559
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 66825529
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine
CID 86666229
N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 147855444
4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[3-(methylamino)-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]propan-2-one
CID 148966679
[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol
CID 122695284
6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline
CID 14255780
1-[4-(6-amino-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(4-fluorophenyl)propan-2-one
CID 58272950

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one (CID 147338407) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one is O=C(Cc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc(Oc2ccc3nccnc3c2)cc1F.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one?
The InChIKey is DCZUDTRRTURXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF4N2O2/c25-20-5-1-14(10-19(20)24(27,28)29)9-16(32)11-15-2-3-17(12-21(15)26)33-18-4-6-22-23(13-18)31-8-7-30-22/h1-8,10,12-13H,9,11H2.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one has a molecular weight of 474.84 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-fluoro-4-quinoxalin-6-yloxyphenyl)propan-2-one is sourced from PubChem (CID 147338407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).