8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane

C14H19F2N — CID 123957186

IUPAC8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane
SMILESFC1=CC=CC(F)C1CN1C2CCCC1CC2
InChIInChI=1S/C14H19F2N/c15-13-5-2-6-14(16)12(13)9-17-10-3-1-4-11(17)8-7-10/h2,5-6,10-13H,1,3-4,7-9H2
InChIKeySHBHIKBRJNAVHJ-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.38
Rot. Bonds2

About 8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane

8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane (PubChem CID 123957186) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane
PubChem CID123957186
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane
SMILESFC1=CC=CC(F)C1CN1C2CCCC1CC2
InChIInChI=1S/C14H19F2N/c15-13-5-2-6-14(16)12(13)9-17-10-3-1-4-11(17)8-7-10/h2,5-6,10-13H,1,3-4,7-9H2
InChIKeySHBHIKBRJNAVHJ-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

3-[(1E,3Z,5Z)-3-(1-fluoroethyl)hepta-1,3,5-trienyl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 89022338
8-[(2S)-3-[(1R)-3-fluorocyclohexa-2,4-dien-1-yl]-2-methylpropyl]-3-pentyl-8-azabicyclo[3.2.1]octane
CID 141149170
8-[(2S)-3-[(1R)-cyclohexa-2,4-dien-1-yl]-2-methylpropyl]-6-fluoro-3-pentyl-8-azabicyclo[3.2.1]octane
CID 141149187
3-butyl-8-[(2S)-3-[(1R)-3-fluorocyclohexa-2,4-dien-1-yl]-2-methylpropyl]-8-azabicyclo[3.2.1]octane
CID 141149189
(1S,5S)-8-[(2-fluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 144347641
8-Methyl-3-prop-2-enylidene-8-azabicyclo[3.2.1]octane
CID 171951393

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane (CID 123957186) is 8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane is FC1=CC=CC(F)C1CN1C2CCCC1CC2.
What is the InChIKey of 8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is SHBHIKBRJNAVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c15-13-5-2-6-14(16)12(13)9-17-10-3-1-4-11(17)8-7-10/h2,5-6,10-13H,1,3-4,7-9H2.
What are the key properties of 8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane?
8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 239.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 123957186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).