2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene

C7H6F2N2 — CID 144572087

IUPAC2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCn1[nH]c2c(F)cc(F)cc21
InChIInChI=1S/C7H6F2N2/c1-11-6-3-4(8)2-5(9)7(6)10-11/h2-3,10H,1H3
InChIKeyFDGWAJDFIUAHDE-UHFFFAOYSA-N
MW156.13 g/mol
LogP1.78
Rot. Bonds

About 2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene

2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 144572087) has the molecular formula C7H6F2N2 and a molecular weight of 156.13 g/mol. Its IUPAC name is 2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID144572087
Molecular FormulaC7H6F2N2
Molecular Weight156.13 g/mol
Exact Mass156.05
IUPAC Name2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCn1[nH]c2c(F)cc(F)cc21
InChIInChI=1S/C7H6F2N2/c1-11-6-3-4(8)2-5(9)7(6)10-11/h2-3,10H,1H3
InChIKeyFDGWAJDFIUAHDE-UHFFFAOYSA-N
XLogP1.78
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene (CID 144572087) is 2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene is Cn1[nH]c2c(F)cc(F)cc21.
What is the InChIKey of 2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is FDGWAJDFIUAHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2/c1-11-6-3-4(8)2-5(9)7(6)10-11/h2-3,10H,1H3.
What are the key properties of 2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene?
2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 156.13 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 144572087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).