3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane

C9H16FN — CID 122462537

IUPAC3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(CF)C2
InChIInChI=1S/C9H16FN/c1-11-8-2-3-9(11)5-7(4-8)6-10/h7-9H,2-6H2,1H3
InChIKeyWSTKVSFCHQZRLK-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.83
Rot. Bonds1

About 3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane

3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 122462537) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID122462537
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(CF)C2
InChIInChI=1S/C9H16FN/c1-11-8-2-3-9(11)5-7(4-8)6-10/h7-9H,2-6H2,1H3
InChIKeyWSTKVSFCHQZRLK-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane (CID 122462537) is 3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane is CN1C2CCC1CC(CF)C2.
What is the InChIKey of 3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is WSTKVSFCHQZRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-11-8-2-3-9(11)5-7(4-8)6-10/h7-9H,2-6H2,1H3.
What are the key properties of 3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane?
3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 157.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 122462537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).