5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane

C10H16FN — CID 118643202

IUPAC5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane
SMILESCC12CC3CC(CC(F)(C3)C1)N2
InChIInChI=1S/C10H16FN/c1-9-3-7-2-8(12-9)5-10(11,4-7)6-9/h7-8,12H,2-6H2,1H3
InChIKeyGJWFEVLVCXOTSH-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.02
Rot. Bonds

About 5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane

5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane (PubChem CID 118643202) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane
PubChem CID118643202
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane
SMILESCC12CC3CC(CC(F)(C3)C1)N2
InChIInChI=1S/C10H16FN/c1-9-3-7-2-8(12-9)5-10(11,4-7)6-9/h7-8,12H,2-6H2,1H3
InChIKeyGJWFEVLVCXOTSH-UHFFFAOYSA-N
XLogP2.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of 5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane (CID 118643202) is 5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane is CC12CC3CC(CC(F)(C3)C1)N2.
What is the InChIKey of 5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane?
The InChIKey is GJWFEVLVCXOTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-9-3-7-2-8(12-9)5-10(11,4-7)6-9/h7-8,12H,2-6H2,1H3.
What are the key properties of 5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane?
5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane has a molecular weight of 169.24 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 118643202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).