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

C8H14FN — CID 68756958

IUPAC3-(fluoromethyl)-8-azabicyclo[3.2.1]octane
SMILESFCC1CC2CCC(C1)N2
InChIInChI=1S/C8H14FN/c9-5-6-3-7-1-2-8(4-6)10-7/h6-8,10H,1-5H2
InChIKeyCMKIICXIVNEYRU-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.49
Rot. Bonds1

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

3-(fluoromethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 68756958) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 3-(fluoromethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(fluoromethyl)-8-azabicyclo[3.2.1]octane
PubChem CID68756958
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name3-(fluoromethyl)-8-azabicyclo[3.2.1]octane
SMILESFCC1CC2CCC(C1)N2
InChIInChI=1S/C8H14FN/c9-5-6-3-7-1-2-8(4-6)10-7/h6-8,10H,1-5H2
InChIKeyCMKIICXIVNEYRU-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Decahydro-1H-cyclohepta[B]pyridine
CID 20521844
3-Methyl-8-azabicyclo(3.2.1)octane
CID 20659822
1-[(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 51723276
3-Methyl-8-azabicyclo[3.2.1]octane hydrochloride
CID 67505806
3-(2,2,2-Trifluoroethyl)-8-azabicyclo(3.2.1)octane
CID 132327689
3-(2-Fluoroethyl)-8-azabicyclo[3.2.1]octane
CID 132343955
3-(2,2-Difluoroethyl)-8-azabicyclo(3.2.1)octane hydrochloride
CID 137838125
3-Fluoro-3-methyl-8-azabicyclo[3.2.1]octane
CID 68756270
2-(2,2,2-Trifluoroethyl)-8-azabicyclo[3.2.1]octane
CID 83484218
4-[[(2S)-1-fluoropyrrolidin-2-yl]methyl]piperidine
CID 88163118
4-[[(2R)-1-fluoropyrrolidin-2-yl]methyl]piperidine
CID 88163713
3-[[(2S)-1-fluoropyrrolidin-2-yl]methyl]piperidine
CID 88165093

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(fluoromethyl)-8-azabicyclo[3.2.1]octane (CID 68756958) is 3-(fluoromethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(fluoromethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(fluoromethyl)-8-azabicyclo[3.2.1]octane is FCC1CC2CCC(C1)N2.
What is the InChIKey of 3-(fluoromethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is CMKIICXIVNEYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c9-5-6-3-7-1-2-8(4-6)10-7/h6-8,10H,1-5H2.
What are the key properties of 3-(fluoromethyl)-8-azabicyclo[3.2.1]octane?
3-(fluoromethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 143.20 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 68756958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).