2-butyl-6,7-difluoro-6,7-dihydroquinoxaline

C12H14F2N2 — CID 156775504

IUPAC2-butyl-6,7-difluoro-6,7-dihydroquinoxaline
SMILESCCCCc1cnc2c(n1)=CC(F)C(F)C=2
InChIInChI=1S/C12H14F2N2/c1-2-3-4-8-7-15-11-5-9(13)10(14)6-12(11)16-8/h5-7,9-10H,2-4H2,1H3
InChIKeyYZOMLSRNWMVRMS-UHFFFAOYSA-N
MW224.25 g/mol
LogP1.07
Rot. Bonds3

About 2-butyl-6,7-difluoro-6,7-dihydroquinoxaline

2-butyl-6,7-difluoro-6,7-dihydroquinoxaline (PubChem CID 156775504) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-butyl-6,7-difluoro-6,7-dihydroquinoxaline.

Molecular Properties

Compound Name2-butyl-6,7-difluoro-6,7-dihydroquinoxaline
PubChem CID156775504
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name2-butyl-6,7-difluoro-6,7-dihydroquinoxaline
SMILESCCCCc1cnc2c(n1)=CC(F)C(F)C=2
InChIInChI=1S/C12H14F2N2/c1-2-3-4-8-7-15-11-5-9(13)10(14)6-12(11)16-8/h5-7,9-10H,2-4H2,1H3
InChIKeyYZOMLSRNWMVRMS-UHFFFAOYSA-N
XLogP1.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6,7-difluoro-6,7-dihydroquinoxaline?
The IUPAC name of 2-butyl-6,7-difluoro-6,7-dihydroquinoxaline (CID 156775504) is 2-butyl-6,7-difluoro-6,7-dihydroquinoxaline.
What is the SMILES notation for 2-butyl-6,7-difluoro-6,7-dihydroquinoxaline?
The canonical SMILES for 2-butyl-6,7-difluoro-6,7-dihydroquinoxaline is CCCCc1cnc2c(n1)=CC(F)C(F)C=2.
What is the InChIKey of 2-butyl-6,7-difluoro-6,7-dihydroquinoxaline?
The InChIKey is YZOMLSRNWMVRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2/c1-2-3-4-8-7-15-11-5-9(13)10(14)6-12(11)16-8/h5-7,9-10H,2-4H2,1H3.
What are the key properties of 2-butyl-6,7-difluoro-6,7-dihydroquinoxaline?
2-butyl-6,7-difluoro-6,7-dihydroquinoxaline has a molecular weight of 224.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6,7-difluoro-6,7-dihydroquinoxaline is sourced from PubChem (CID 156775504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).