2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone

C16H10ClFN2O — CID 102617672

IUPAC2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone
SMILESO=C(Cc1cc(F)ccc1Cl)c1ccc2nccnc2c1
InChIInChI=1S/C16H10ClFN2O/c17-13-3-2-12(18)7-11(13)9-16(21)10-1-4-14-15(8-10)20-6-5-19-14/h1-8H,9H2
InChIKeyBISSRUXXQPOOTN-UHFFFAOYSA-N
MW300.72 g/mol
LogP3.85
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone

2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone (PubChem CID 102617672) has the molecular formula C16H10ClFN2O and a molecular weight of 300.72 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone
PubChem CID102617672
Molecular FormulaC16H10ClFN2O
Molecular Weight300.72 g/mol
Exact Mass300.05
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone
SMILESO=C(Cc1cc(F)ccc1Cl)c1ccc2nccnc2c1
InChIInChI=1S/C16H10ClFN2O/c17-13-3-2-12(18)7-11(13)9-16(21)10-1-4-14-15(8-10)20-6-5-19-14/h1-8H,9H2
InChIKeyBISSRUXXQPOOTN-UHFFFAOYSA-N
XLogP3.85
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102617586
1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102617798
2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone
CID 114931324
2-(2,5-dichlorophenyl)-1-(4-fluorophenyl)ethanone
CID 65316679
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone
CID 102617766
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 102617677
2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 62621300
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 102617799
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918
1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203984
2-(2-chloro-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
CID 102622399

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone (CID 102617672) is 2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone is O=C(Cc1cc(F)ccc1Cl)c1ccc2nccnc2c1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone?
The InChIKey is BISSRUXXQPOOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O/c17-13-3-2-12(18)7-11(13)9-16(21)10-1-4-14-15(8-10)20-6-5-19-14/h1-8H,9H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone?
2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone has a molecular weight of 300.72 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-quinoxalin-6-ylethanone is sourced from PubChem (CID 102617672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).