3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane

C13H22FN — CID 112564625

IUPAC3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1(C2CCCCC2)CC2CCC(C1)N2
InChIInChI=1S/C13H22FN/c14-13(10-4-2-1-3-5-10)8-11-6-7-12(9-13)15-11/h10-12,15H,1-9H2
InChIKeyNQMFKUKHRNAEHV-UHFFFAOYSA-N
MW211.32 g/mol
LogP3.19
Rot. Bonds1

About 3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane

3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane (PubChem CID 112564625) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane
PubChem CID112564625
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1(C2CCCCC2)CC2CCC(C1)N2
InChIInChI=1S/C13H22FN/c14-13(10-4-2-1-3-5-10)8-11-6-7-12(9-13)15-11/h10-12,15H,1-9H2
InChIKeyNQMFKUKHRNAEHV-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane (CID 112564625) is 3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane is FC1(C2CCCCC2)CC2CCC(C1)N2.
What is the InChIKey of 3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane?
The InChIKey is NQMFKUKHRNAEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN/c14-13(10-4-2-1-3-5-10)8-11-6-7-12(9-13)15-11/h10-12,15H,1-9H2.
What are the key properties of 3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane?
3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane has a molecular weight of 211.32 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-fluoro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112564625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).