2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate

C10H16FNO2 — CID 91325235

IUPAC2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCCF)N1C2CCCC1CC2
InChIInChI=1S/C10H16FNO2/c11-6-7-14-10(13)12-8-2-1-3-9(12)5-4-8/h8-9H,1-7H2
InChIKeyIMJXXKLQKBGRJL-UHFFFAOYSA-N
MW201.24 g/mol
LogP2.11
Rot. Bonds2

About 2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate

2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 91325235) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID91325235
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCCF)N1C2CCCC1CC2
InChIInChI=1S/C10H16FNO2/c11-6-7-14-10(13)12-8-2-1-3-9(12)5-4-8/h8-9H,1-7H2
InChIKeyIMJXXKLQKBGRJL-UHFFFAOYSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate (CID 91325235) is 2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(OCCF)N1C2CCCC1CC2.
What is the InChIKey of 2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is IMJXXKLQKBGRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c11-6-7-14-10(13)12-8-2-1-3-9(12)5-4-8/h8-9H,1-7H2.
What are the key properties of 2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate?
2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 201.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 91325235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).