11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene

C12H16FNO — CID 134601219

IUPAC11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene
SMILESCC1(C)CNCC2=CC(O1)C(F)=CC=C2
InChIInChI=1S/C12H16FNO/c1-12(2)8-14-7-9-4-3-5-10(13)11(6-9)15-12/h3-6,11,14H,7-8H2,1-2H3
InChIKeySLMLMHPGIKNZKJ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.10
Rot. Bonds

About 11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene

11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene (PubChem CID 134601219) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene.

Molecular Properties

Compound Name11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene
PubChem CID134601219
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene
SMILESCC1(C)CNCC2=CC(O1)C(F)=CC=C2
InChIInChI=1S/C12H16FNO/c1-12(2)8-14-7-9-4-3-5-10(13)11(6-9)15-12/h3-6,11,14H,7-8H2,1-2H3
InChIKeySLMLMHPGIKNZKJ-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 142068009
6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine;ethane
CID 145240099
6,7-bis[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine
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Frequently Asked Questions

What is the IUPAC name of 11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene?
The IUPAC name of 11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene (CID 134601219) is 11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene.
What is the SMILES notation for 11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene?
The canonical SMILES for 11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene is CC1(C)CNCC2=CC(O1)C(F)=CC=C2.
What is the InChIKey of 11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene?
The InChIKey is SLMLMHPGIKNZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-12(2)8-14-7-9-4-3-5-10(13)11(6-9)15-12/h3-6,11,14H,7-8H2,1-2H3.
What are the key properties of 11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene?
11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene has a molecular weight of 209.26 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-3,3-dimethyl-2-oxa-5-azabicyclo[5.4.1]dodeca-7(12),8,10-triene is sourced from PubChem (CID 134601219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).