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

C12H20FNO2 — CID 89005954

IUPAC2-fluoroethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCC1CC2CCC(C1)N2C(=O)OCCF
InChIInChI=1S/C12H20FNO2/c1-2-9-7-10-3-4-11(8-9)14(10)12(15)16-6-5-13/h9-11H,2-8H2,1H3
InChIKeyUCAFCVCKKKSKPJ-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.75
Rot. Bonds3

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

2-fluoroethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 89005954) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-fluoroethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID89005954
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC Name2-fluoroethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCC1CC2CCC(C1)N2C(=O)OCCF
InChIInChI=1S/C12H20FNO2/c1-2-9-7-10-3-4-11(8-9)14(10)12(15)16-6-5-13/h9-11H,2-8H2,1H3
InChIKeyUCAFCVCKKKSKPJ-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 2-fluoroethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 89005954) is 2-fluoroethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 2-fluoroethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 2-fluoroethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate is CCC1CC2CCC(C1)N2C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is UCAFCVCKKKSKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO2/c1-2-9-7-10-3-4-11(8-9)14(10)12(15)16-6-5-13/h9-11H,2-8H2,1H3.
What are the key properties of 2-fluoroethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
2-fluoroethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 229.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 89005954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).