2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

C10H14FNO3 — CID 138582995

IUPAC2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C1CC2CCC(C1)N2C(=O)OCCF
InChIInChI=1S/C10H14FNO3/c11-3-4-15-10(14)12-7-1-2-8(12)6-9(13)5-7/h7-8H,1-6H2
InChIKeyDSLNTVKSTGDMRV-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.29
Rot. Bonds2

About 2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 138582995) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID138582995
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C1CC2CCC(C1)N2C(=O)OCCF
InChIInChI=1S/C10H14FNO3/c11-3-4-15-10(14)12-7-1-2-8(12)6-9(13)5-7/h7-8H,1-6H2
InChIKeyDSLNTVKSTGDMRV-UHFFFAOYSA-N
XLogP1.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 138582995) is 2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate is O=C1CC2CCC(C1)N2C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is DSLNTVKSTGDMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c11-3-4-15-10(14)12-7-1-2-8(12)6-9(13)5-7/h7-8H,1-6H2.
What are the key properties of 2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate?
2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 215.22 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 138582995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).