5,6,7,8-tetrafluoro-2-methylquinoxaline

C9H4F4N2 — CID 98040625

IUPAC5,6,7,8-tetrafluoro-2-methylquinoxaline
SMILESCc1cnc2c(F)c(F)c(F)c(F)c2n1
InChIInChI=1S/C9H4F4N2/c1-3-2-14-8-6(12)4(10)5(11)7(13)9(8)15-3/h2H,1H3
InChIKeyZEXNFYBXHZRYLY-UHFFFAOYSA-N
MW216.14 g/mol
LogP2.49
Rot. Bonds

About 5,6,7,8-tetrafluoro-2-methylquinoxaline

5,6,7,8-tetrafluoro-2-methylquinoxaline (PubChem CID 98040625) has the molecular formula C9H4F4N2 and a molecular weight of 216.14 g/mol. Its IUPAC name is 5,6,7,8-tetrafluoro-2-methylquinoxaline.

Molecular Properties

Compound Name5,6,7,8-tetrafluoro-2-methylquinoxaline
PubChem CID98040625
Molecular FormulaC9H4F4N2
Molecular Weight216.14 g/mol
Exact Mass216.03
IUPAC Name5,6,7,8-tetrafluoro-2-methylquinoxaline
SMILESCc1cnc2c(F)c(F)c(F)c(F)c2n1
InChIInChI=1S/C9H4F4N2/c1-3-2-14-8-6(12)4(10)5(11)7(13)9(8)15-3/h2H,1H3
InChIKeyZEXNFYBXHZRYLY-UHFFFAOYSA-N
XLogP2.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrafluoro-2-methylquinoxaline?
The IUPAC name of 5,6,7,8-tetrafluoro-2-methylquinoxaline (CID 98040625) is 5,6,7,8-tetrafluoro-2-methylquinoxaline.
What is the SMILES notation for 5,6,7,8-tetrafluoro-2-methylquinoxaline?
The canonical SMILES for 5,6,7,8-tetrafluoro-2-methylquinoxaline is Cc1cnc2c(F)c(F)c(F)c(F)c2n1.
What is the InChIKey of 5,6,7,8-tetrafluoro-2-methylquinoxaline?
The InChIKey is ZEXNFYBXHZRYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N2/c1-3-2-14-8-6(12)4(10)5(11)7(13)9(8)15-3/h2H,1H3.
What are the key properties of 5,6,7,8-tetrafluoro-2-methylquinoxaline?
5,6,7,8-tetrafluoro-2-methylquinoxaline has a molecular weight of 216.14 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrafluoro-2-methylquinoxaline is sourced from PubChem (CID 98040625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).