5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene

C15H20FN — CID 177350599

IUPAC5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene
SMILESCC(C)N1CC2CC1C=C2C1=CCCC=C1F
InChIInChI=1S/C15H20FN/c1-10(2)17-9-11-7-12(17)8-14(11)13-5-3-4-6-15(13)16/h5-6,8,10-12H,3-4,7,9H2,1-2H3
InChIKeyNEIXXLCYHGDBCZ-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.60
Rot. Bonds2

About 5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene

5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene (PubChem CID 177350599) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene
PubChem CID177350599
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene
SMILESCC(C)N1CC2CC1C=C2C1=CCCC=C1F
InChIInChI=1S/C15H20FN/c1-10(2)17-9-11-7-12(17)8-14(11)13-5-3-4-6-15(13)16/h5-6,8,10-12H,3-4,7,9H2,1-2H3
InChIKeyNEIXXLCYHGDBCZ-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene?
The IUPAC name of 5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene (CID 177350599) is 5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for 5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for 5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene is CC(C)N1CC2CC1C=C2C1=CCCC=C1F.
What is the InChIKey of 5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene?
The InChIKey is NEIXXLCYHGDBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-10(2)17-9-11-7-12(17)8-14(11)13-5-3-4-6-15(13)16/h5-6,8,10-12H,3-4,7,9H2,1-2H3.
What are the key properties of 5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene?
5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene has a molecular weight of 233.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 177350599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).