(5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane

C7H13FN2 — CID 176714376

IUPAC(5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C2CNC[C@@H]1C(F)C2
InChIInChI=1S/C7H13FN2/c1-10-5-2-6(8)7(10)4-9-3-5/h5-7,9H,2-4H2,1H3/t5?,6?,7-/m1/s1
InChIKeyZPDHHJODTIQAMB-KPGICGJXSA-N
MW144.19 g/mol
LogP0.00
Rot. Bonds

About (5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane

(5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 176714376) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID176714376
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name(5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C2CNC[C@@H]1C(F)C2
InChIInChI=1S/C7H13FN2/c1-10-5-2-6(8)7(10)4-9-3-5/h5-7,9H,2-4H2,1H3/t5?,6?,7-/m1/s1
InChIKeyZPDHHJODTIQAMB-KPGICGJXSA-N
XLogP0.00
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 ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of (5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane (CID 176714376) is (5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for (5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane is CN1C2CNC[C@@H]1C(F)C2.
What is the InChIKey of (5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is ZPDHHJODTIQAMB-KPGICGJXSA-N. The full InChI is InChI=1S/C7H13FN2/c1-10-5-2-6(8)7(10)4-9-3-5/h5-7,9H,2-4H2,1H3/t5?,6?,7-/m1/s1.
What are the key properties of (5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane?
(5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 144.19 g/mol, XLogP of 0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 176714376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).