10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene

C12H14FN — CID 116532178

IUPAC10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene
SMILESCC1NCc2cc(F)cc3c2C1CC3
InChIInChI=1S/C12H14FN/c1-7-11-3-2-8-4-10(13)5-9(6-14-7)12(8)11/h4-5,7,11,14H,2-3,6H2,1H3
InChIKeyXYZCJOFIEYERHC-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.35
Rot. Bonds

About 10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene

10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene (PubChem CID 116532178) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene.

Molecular Properties

Compound Name10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene
PubChem CID116532178
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene
SMILESCC1NCc2cc(F)cc3c2C1CC3
InChIInChI=1S/C12H14FN/c1-7-11-3-2-8-4-10(13)5-9(6-14-7)12(8)11/h4-5,7,11,14H,2-3,6H2,1H3
InChIKeyXYZCJOFIEYERHC-UHFFFAOYSA-N
XLogP2.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene?
The IUPAC name of 10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene (CID 116532178) is 10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene.
What is the SMILES notation for 10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene?
The canonical SMILES for 10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene is CC1NCc2cc(F)cc3c2C1CC3.
What is the InChIKey of 10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene?
The InChIKey is XYZCJOFIEYERHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-7-11-3-2-8-4-10(13)5-9(6-14-7)12(8)11/h4-5,7,11,14H,2-3,6H2,1H3.
What are the key properties of 10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene?
10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene has a molecular weight of 191.25 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene is sourced from PubChem (CID 116532178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).