3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene

C10H10FN — CID 176543997

IUPAC3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene
SMILESCC1CC2=C=C(C=CC(F)=C2)N1
InChIInChI=1S/C10H10FN/c1-7-4-8-5-9(11)2-3-10(6-8)12-7/h2-3,5,7,12H,4H2,1H3
InChIKeySSHXKHXJPWTIAC-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.20
Rot. Bonds

About 3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene

3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene (PubChem CID 176543997) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene.

Molecular Properties

Compound Name3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene
PubChem CID176543997
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene
SMILESCC1CC2=C=C(C=CC(F)=C2)N1
InChIInChI=1S/C10H10FN/c1-7-4-8-5-9(11)2-3-10(6-8)12-7/h2-3,5,7,12H,4H2,1H3
InChIKeySSHXKHXJPWTIAC-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene?
The IUPAC name of 3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene (CID 176543997) is 3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene.
What is the SMILES notation for 3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene?
The canonical SMILES for 3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene is CC1CC2=C=C(C=CC(F)=C2)N1.
What is the InChIKey of 3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene?
The InChIKey is SSHXKHXJPWTIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c1-7-4-8-5-9(11)2-3-10(6-8)12-7/h2-3,5,7,12H,4H2,1H3.
What are the key properties of 3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene?
3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene has a molecular weight of 163.19 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-methyl-7-azabicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraene is sourced from PubChem (CID 176543997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).