2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane

C7H13FN2 — CID 166102791

IUPAC2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C2CCC1C(F)NC2
InChIInChI=1S/C7H13FN2/c1-10-5-2-3-6(10)7(8)9-4-5/h5-7,9H,2-4H2,1H3
InChIKeyMHZNHVJLWLMVSI-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.35
Rot. Bonds

About 2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane

2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 166102791) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID166102791
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C2CCC1C(F)NC2
InChIInChI=1S/C7H13FN2/c1-10-5-2-3-6(10)7(8)9-4-5/h5-7,9H,2-4H2,1H3
InChIKeyMHZNHVJLWLMVSI-UHFFFAOYSA-N
XLogP0.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-3,8-diazabicyclo(3.2.1)octane
CID 12378900
8-Methyl-3,8-diazabicyclo(3.2.1)octane dihydrochloride
CID 22120189
3,8-Diazabicyclo(3.2.1)octane dihydrochloride
CID 22647870
8-(Propan-2-yl)-3,8-diazabicyclo[3.2.1]octane
CID 57963913
8-Ethyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride
CID 146380468
8-Methyl-3,8-diazabicyclo[3.2.1]octane
CID 422924
3,8-Diazabicyclo(3.2.1)octane
CID 12430587
6-Methyl-2,6-diazabicyclo[3.2.1]octane dihydrochloride
CID 146675322
2,6-Diazabicyclo[3.2.1]octane
CID 67134509
8-Ethyl-3,8-diazabicyclo[3.2.1]octane
CID 21467295
2-[(3-Fluoropyrrolidin-1-yl)methyl]piperidine
CID 23190311
(2S)-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]piperidine
CID 67692411

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane (CID 166102791) is 2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane is CN1C2CCC1C(F)NC2.
What is the InChIKey of 2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is MHZNHVJLWLMVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-10-5-2-3-6(10)7(8)9-4-5/h5-7,9H,2-4H2,1H3.
What are the key properties of 2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane?
2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 144.19 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 166102791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).