1-[(3-fluorophenyl)methyl]azocane

C14H20FN — CID 792680

IUPAC1-[(3-fluorophenyl)methyl]azocane
SMILESFc1cccc(CN2CCCCCCC2)c1
InChIInChI=1S/C14H20FN/c15-14-8-6-7-13(11-14)12-16-9-4-2-1-3-5-10-16/h6-8,11H,1-5,9-10,12H2
InChIKeyIUHCHPHJFFVVAN-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.59
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]azocane

1-[(3-fluorophenyl)methyl]azocane (PubChem CID 792680) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]azocane.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]azocane
PubChem CID792680
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-[(3-fluorophenyl)methyl]azocane
SMILESFc1cccc(CN2CCCCCCC2)c1
InChIInChI=1S/C14H20FN/c15-14-8-6-7-13(11-14)12-16-9-4-2-1-3-5-10-16/h6-8,11H,1-5,9-10,12H2
InChIKeyIUHCHPHJFFVVAN-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]azocane?
The IUPAC name of 1-[(3-fluorophenyl)methyl]azocane (CID 792680) is 1-[(3-fluorophenyl)methyl]azocane.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]azocane?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]azocane is Fc1cccc(CN2CCCCCCC2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]azocane?
The InChIKey is IUHCHPHJFFVVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c15-14-8-6-7-13(11-14)12-16-9-4-2-1-3-5-10-16/h6-8,11H,1-5,9-10,12H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]azocane?
1-[(3-fluorophenyl)methyl]azocane has a molecular weight of 221.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]azocane is sourced from PubChem (CID 792680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).