methyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate

C13H22FNO2 — CID 69293959

IUPACmethyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCCCC1(C(=O)OC)CC2CCC(C1F)N2C
InChIInChI=1S/C13H22FNO2/c1-4-7-13(12(16)17-3)8-9-5-6-10(11(13)14)15(9)2/h9-11H,4-8H2,1-3H3
InChIKeyLERJXTQTSOJZRY-UHFFFAOYSA-N
MW243.32 g/mol
LogP2.15
Rot. Bonds3

About methyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate

methyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate (PubChem CID 69293959) has the molecular formula C13H22FNO2 and a molecular weight of 243.32 g/mol. Its IUPAC name is methyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate
PubChem CID69293959
Molecular FormulaC13H22FNO2
Molecular Weight243.32 g/mol
Exact Mass243.16
IUPAC Namemethyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCCCC1(C(=O)OC)CC2CCC(C1F)N2C
InChIInChI=1S/C13H22FNO2/c1-4-7-13(12(16)17-3)8-9-5-6-10(11(13)14)15(9)2/h9-11H,4-8H2,1-3H3
InChIKeyLERJXTQTSOJZRY-UHFFFAOYSA-N
XLogP2.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
The IUPAC name of methyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate (CID 69293959) is methyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate.
What is the SMILES notation for methyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
The canonical SMILES for methyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate is CCCC1(C(=O)OC)CC2CCC(C1F)N2C.
What is the InChIKey of methyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
The InChIKey is LERJXTQTSOJZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO2/c1-4-7-13(12(16)17-3)8-9-5-6-10(11(13)14)15(9)2/h9-11H,4-8H2,1-3H3.
What are the key properties of methyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
methyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate has a molecular weight of 243.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-8-methyl-3-propyl-8-azabicyclo[3.2.1]octane-3-carboxylate is sourced from PubChem (CID 69293959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).