6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile

C9H13FN2 — CID 142643355

IUPAC6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESCN1C2CC(C#N)CC1C(F)C2
InChIInChI=1S/C9H13FN2/c1-12-7-2-6(5-11)3-9(12)8(10)4-7/h6-9H,2-4H2,1H3
InChIKeyOFTPEBFSZGNSFP-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.33
Rot. Bonds

About 6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile

6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile (PubChem CID 142643355) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is 6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
PubChem CID142643355
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESCN1C2CC(C#N)CC1C(F)C2
InChIInChI=1S/C9H13FN2/c1-12-7-2-6(5-11)3-9(12)8(10)4-7/h6-9H,2-4H2,1H3
InChIKeyOFTPEBFSZGNSFP-UHFFFAOYSA-N
XLogP1.33
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The IUPAC name of 6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile (CID 142643355) is 6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile.
What is the SMILES notation for 6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The canonical SMILES for 6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile is CN1C2CC(C#N)CC1C(F)C2.
What is the InChIKey of 6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The InChIKey is OFTPEBFSZGNSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-12-7-2-6(5-11)3-9(12)8(10)4-7/h6-9H,2-4H2,1H3.
What are the key properties of 6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile has a molecular weight of 168.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile is sourced from PubChem (CID 142643355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).