9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene

C14H16FN — CID 138564152

IUPAC9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene
SMILESC=C1CC=CN(C)C2=C(C)CC=C(F)C=C12
InChIInChI=1S/C14H16FN/c1-10-5-4-8-16(3)14-11(2)6-7-12(15)9-13(10)14/h4,7-9H,1,5-6H2,2-3H3
InChIKeyNFMSIPGPCKSUFA-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.85
Rot. Bonds

About 9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene

9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene (PubChem CID 138564152) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is 9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene.

Molecular Properties

Compound Name9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene
PubChem CID138564152
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene
SMILESC=C1CC=CN(C)C2=C(C)CC=C(F)C=C12
InChIInChI=1S/C14H16FN/c1-10-5-4-8-16(3)14-11(2)6-7-12(15)9-13(10)14/h4,7-9H,1,5-6H2,2-3H3
InChIKeyNFMSIPGPCKSUFA-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene?
The IUPAC name of 9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene (CID 138564152) is 9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene.
What is the SMILES notation for 9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene?
The canonical SMILES for 9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene is C=C1CC=CN(C)C2=C(C)CC=C(F)C=C12.
What is the InChIKey of 9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene?
The InChIKey is NFMSIPGPCKSUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN/c1-10-5-4-8-16(3)14-11(2)6-7-12(15)9-13(10)14/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene?
9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene has a molecular weight of 217.29 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2,12-dimethyl-6-methylidene-2-azabicyclo[5.5.0]dodeca-1(12),3,7,9-tetraene is sourced from PubChem (CID 138564152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).