7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane

C11H20FN — CID 170676455

IUPAC7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane
SMILESCC(C)N1CC2CC(F)CC(C2)C1
InChIInChI=1S/C11H20FN/c1-8(2)13-6-9-3-10(7-13)5-11(12)4-9/h8-11H,3-7H2,1-2H3
InChIKeyYAUZXLMMBIIOGA-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.46
Rot. Bonds1

About 7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane

7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane (PubChem CID 170676455) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane
PubChem CID170676455
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane
SMILESCC(C)N1CC2CC(F)CC(C2)C1
InChIInChI=1S/C11H20FN/c1-8(2)13-6-9-3-10(7-13)5-11(12)4-9/h8-11H,3-7H2,1-2H3
InChIKeyYAUZXLMMBIIOGA-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane?
The IUPAC name of 7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane (CID 170676455) is 7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane?
The canonical SMILES for 7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane is CC(C)N1CC2CC(F)CC(C2)C1.
What is the InChIKey of 7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane?
The InChIKey is YAUZXLMMBIIOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-8(2)13-6-9-3-10(7-13)5-11(12)4-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane?
7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane has a molecular weight of 185.29 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-propan-2-yl-3-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 170676455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).