2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene

C15H15FN2 — CID 156796568

IUPAC2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
SMILESCCc1ccc(-c2cccc3[nH]n(C)c23)c(F)c1
InChIInChI=1S/C15H15FN2/c1-3-10-7-8-11(13(16)9-10)12-5-4-6-14-15(12)18(2)17-14/h4-9,17H,3H2,1-2H3
InChIKeyUCOLDZSPBAJTDJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.87
Rot. Bonds2

About 2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene

2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 156796568) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
PubChem CID156796568
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
SMILESCCc1ccc(-c2cccc3[nH]n(C)c23)c(F)c1
InChIInChI=1S/C15H15FN2/c1-3-10-7-8-11(13(16)9-10)12-5-4-6-14-15(12)18(2)17-14/h4-9,17H,3H2,1-2H3
InChIKeyUCOLDZSPBAJTDJ-UHFFFAOYSA-N
XLogP3.87
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene (CID 156796568) is 2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene is CCc1ccc(-c2cccc3[nH]n(C)c23)c(F)c1.
What is the InChIKey of 2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is UCOLDZSPBAJTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c1-3-10-7-8-11(13(16)9-10)12-5-4-6-14-15(12)18(2)17-14/h4-9,17H,3H2,1-2H3.
What are the key properties of 2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 242.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 156796568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).