(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate

C15H18FNO2 — CID 5147770

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate
SMILESCN1C2CCC1CC(OC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C15H18FNO2/c1-17-12-6-7-13(17)9-14(8-12)19-15(18)10-2-4-11(16)5-3-10/h2-5,12-14H,6-9H2,1H3
InChIKeyYXDFSLSXLYAAPF-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.61
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate (PubChem CID 5147770) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate
PubChem CID5147770
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate
SMILESCN1C2CCC1CC(OC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C15H18FNO2/c1-17-12-6-7-13(17)9-14(8-12)19-15(18)10-2-4-11(16)5-3-10/h2-5,12-14H,6-9H2,1H3
InChIKeyYXDFSLSXLYAAPF-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate (CID 5147770) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate is CN1C2CCC1CC(OC(=O)c1ccc(F)cc1)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate?
The InChIKey is YXDFSLSXLYAAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-17-12-6-7-13(17)9-14(8-12)19-15(18)10-2-4-11(16)5-3-10/h2-5,12-14H,6-9H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate has a molecular weight of 263.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate is sourced from PubChem (CID 5147770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).