6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione

C9H2Cl2F4N2O2 — CID 21189998

IUPAC6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2c(F)c(Cl)c(Cl)c(C(F)(F)F)c2[nH]c1=O
InChIInChI=1S/C9H2Cl2F4N2O2/c10-2-1(9(13,14)15)5-6(4(12)3(2)11)17-8(19)7(18)16-5/h(H,16,18)(H,17,19)
InChIKeyBWJJHLHQVNGUAW-UHFFFAOYSA-N
MW317.03 g/mol
LogP2.68
Rot. Bonds

About 6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione

6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 21189998) has the molecular formula C9H2Cl2F4N2O2 and a molecular weight of 317.03 g/mol. Its IUPAC name is 6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID21189998
Molecular FormulaC9H2Cl2F4N2O2
Molecular Weight317.03 g/mol
Exact Mass315.94
IUPAC Name6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2c(F)c(Cl)c(Cl)c(C(F)(F)F)c2[nH]c1=O
InChIInChI=1S/C9H2Cl2F4N2O2/c10-2-1(9(13,14)15)5-6(4(12)3(2)11)17-8(19)7(18)16-5/h(H,16,18)(H,17,19)
InChIKeyBWJJHLHQVNGUAW-UHFFFAOYSA-N
XLogP2.68
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.03
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene
CID 88805355
1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene
CID 75406204
methyl 6-chloro-5-oxo-7-(trifluoromethyl)-4H-thieno[3,2-b]pyridine-3-carboxylate
CID 146453186
1,3-dichloro-2,4,5-trifluoro-6-(trifluoromethyl)benzene
CID 71406765
6,7-dichloro-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
CID 19100739
1,2,4,5-tetrachloro-3-nitro-6-(trifluoromethyl)benzene
CID 20542160
2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol
CID 139943583
3,5-dichloro-4,6-difluoro-1H-pyridin-2-one
CID 23233896
5-chloro-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 30772169
5,8-dichloro-4-fluoro-3-hydroxy-1H-quinolin-2-one
CID 68637756
3-(2,3,4,5,6-pentachlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 133092172
2-chloro-3,5,6-trifluoro-4-(trifluoromethyl)aniline
CID 19914160

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione (CID 21189998) is 6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2c(F)c(Cl)c(Cl)c(C(F)(F)F)c2[nH]c1=O.
What is the InChIKey of 6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is BWJJHLHQVNGUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2Cl2F4N2O2/c10-2-1(9(13,14)15)5-6(4(12)3(2)11)17-8(19)7(18)16-5/h(H,16,18)(H,17,19).
What are the key properties of 6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 317.03 g/mol, XLogP of 2.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-fluoro-8-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 21189998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).