trifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate

C11H16F3NO2 — CID 70826462

IUPACtrifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCC1CC2CCC(C1)N2C(=O)OC(F)(F)F
InChIInChI=1S/C11H16F3NO2/c1-2-7-5-8-3-4-9(6-7)15(8)10(16)17-11(12,13)14/h7-9H,2-6H2,1H3
InChIKeyOKVYFYHXTLBUNZ-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.30
Rot. Bonds1

About trifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate

trifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 70826462) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is trifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametrifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID70826462
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Nametrifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCC1CC2CCC(C1)N2C(=O)OC(F)(F)F
InChIInChI=1S/C11H16F3NO2/c1-2-7-5-8-3-4-9(6-7)15(8)10(16)17-11(12,13)14/h7-9H,2-6H2,1H3
InChIKeyOKVYFYHXTLBUNZ-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trifluoromethyl 3-ethyl-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

Tert-butyl 1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707769
Tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707770
Tert-butyl 1',1'-difluoro-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707771
Tert-butyl 1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707773
2,2,2-Trifluoro-1-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 59418243
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

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of trifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 70826462) is trifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for trifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for trifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate is CCC1CC2CCC(C1)N2C(=O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is OKVYFYHXTLBUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c1-2-7-5-8-3-4-9(6-7)15(8)10(16)17-11(12,13)14/h7-9H,2-6H2,1H3.
What are the key properties of trifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate?
trifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 251.25 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 70826462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).