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

C11H18FNO2 — CID 88892233

IUPAC2-fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC1CC2CCC(C1)N2C(=O)OCCF
InChIInChI=1S/C11H18FNO2/c1-8-6-9-2-3-10(7-8)13(9)11(14)15-5-4-12/h8-10H,2-7H2,1H3
InChIKeyLUXWGEYRCKOVSH-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.36
Rot. Bonds2

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

2-fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 88892233) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID88892233
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name2-fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC1CC2CCC(C1)N2C(=O)OCCF
InChIInChI=1S/C11H18FNO2/c1-8-6-9-2-3-10(7-8)13(9)11(14)15-5-4-12/h8-10H,2-7H2,1H3
InChIKeyLUXWGEYRCKOVSH-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59598940
2,2,2-Trifluoroethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59598944
2-Fluoroethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59598957
2,2-Difluoroethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59598971
2-Fluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59614164
Trifluoromethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59614191
2,2-Difluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59614205
Tert-butyl 3-(fluoromethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67505881
Trifluoromethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 68215861
1,1-Difluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70657721
Tert-butyl 3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70815074
2,2,2-Trifluoroethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 70823739

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 2-fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 88892233) is 2-fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 2-fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 2-fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate is CC1CC2CCC(C1)N2C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is LUXWGEYRCKOVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-8-6-9-2-3-10(7-8)13(9)11(14)15-5-4-12/h8-10H,2-7H2,1H3.
What are the key properties of 2-fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
2-fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 215.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 88892233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).