2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane

C9H16FN — CID 118234178

IUPAC2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1F)N2C
InChIInChI=1S/C9H16FN/c1-6-5-7-3-4-8(9(6)10)11(7)2/h6-9H,3-5H2,1-2H3
InChIKeyBVSYGROBGCQTPM-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.83
Rot. Bonds

About 2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane

2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane (PubChem CID 118234178) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
PubChem CID118234178
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1F)N2C
InChIInChI=1S/C9H16FN/c1-6-5-7-3-4-8(9(6)10)11(7)2/h6-9H,3-5H2,1-2H3
InChIKeyBVSYGROBGCQTPM-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane (CID 118234178) is 2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane is CC1CC2CCC(C1F)N2C.
What is the InChIKey of 2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
The InChIKey is BVSYGROBGCQTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-6-5-7-3-4-8(9(6)10)11(7)2/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane?
2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane has a molecular weight of 157.23 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 118234178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).