2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane

C10H18FN — CID 140624948

IUPAC2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane
SMILESCC1CC2CCCC(C1F)N2C
InChIInChI=1S/C10H18FN/c1-7-6-8-4-3-5-9(10(7)11)12(8)2/h7-10H,3-6H2,1-2H3
InChIKeyGATCEKIMAZUKOP-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.22
Rot. Bonds

About 2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane

2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane (PubChem CID 140624948) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane
PubChem CID140624948
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane
SMILESCC1CC2CCCC(C1F)N2C
InChIInChI=1S/C10H18FN/c1-7-6-8-4-3-5-9(10(7)11)12(8)2/h7-10H,3-6H2,1-2H3
InChIKeyGATCEKIMAZUKOP-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane (CID 140624948) is 2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane is CC1CC2CCCC(C1F)N2C.
What is the InChIKey of 2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is GATCEKIMAZUKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-7-6-8-4-3-5-9(10(7)11)12(8)2/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane?
2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 171.26 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,9-dimethyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 140624948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).