7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene

C11H13FN2 — CID 144954959

IUPAC7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene
SMILESCCN1N=C(C)C2C=CC(F)=CC1=C2
InChIInChI=1S/C11H13FN2/c1-3-14-11-6-9(8(2)13-14)4-5-10(12)7-11/h4-7,9H,3H2,1-2H3
InChIKeyONDMOBUNCONZBN-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.62
Rot. Bonds1

About 7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene

7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene (PubChem CID 144954959) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene.

Molecular Properties

Compound Name7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene
PubChem CID144954959
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene
SMILESCCN1N=C(C)C2C=CC(F)=CC1=C2
InChIInChI=1S/C11H13FN2/c1-3-14-11-6-9(8(2)13-14)4-5-10(12)7-11/h4-7,9H,3H2,1-2H3
InChIKeyONDMOBUNCONZBN-UHFFFAOYSA-N
XLogP2.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene?
The IUPAC name of 7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene (CID 144954959) is 7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene.
What is the SMILES notation for 7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene?
The canonical SMILES for 7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene is CCN1N=C(C)C2C=CC(F)=CC1=C2.
What is the InChIKey of 7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene?
The InChIKey is ONDMOBUNCONZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-3-14-11-6-9(8(2)13-14)4-5-10(12)7-11/h4-7,9H,3H2,1-2H3.
What are the key properties of 7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene?
7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene has a molecular weight of 192.24 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene is sourced from PubChem (CID 144954959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).