(5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane

C9H14FN — CID 130834779

IUPAC(5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane
SMILESFC12C[C@@H]3CC(C[C@@H](C3)C1)N2
InChIInChI=1S/C9H14FN/c10-9-4-6-1-7(5-9)3-8(2-6)11-9/h6-8,11H,1-5H2/t6-,7+,8?,9?
InChIKeyXOIUMBHDDIZYQJ-QPIHLSAKSA-N
MW155.22 g/mol
LogP1.83
Rot. Bonds

About (5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane

(5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane (PubChem CID 130834779) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name(5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane
PubChem CID130834779
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane
SMILESFC12C[C@@H]3CC(C[C@@H](C3)C1)N2
InChIInChI=1S/C9H14FN/c10-9-4-6-1-7(5-9)3-8(2-6)11-9/h6-8,11H,1-5H2/t6-,7+,8?,9?
InChIKeyXOIUMBHDDIZYQJ-QPIHLSAKSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of (5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane (CID 130834779) is (5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for (5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for (5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane is FC12C[C@@H]3CC(C[C@@H](C3)C1)N2.
What is the InChIKey of (5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane?
The InChIKey is XOIUMBHDDIZYQJ-QPIHLSAKSA-N. The full InChI is InChI=1S/C9H14FN/c10-9-4-6-1-7(5-9)3-8(2-6)11-9/h6-8,11H,1-5H2/t6-,7+,8?,9?.
What are the key properties of (5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane?
(5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane has a molecular weight of 155.22 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 130834779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).