trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate

C12H18F3NO2 — CID 59598940

IUPACtrifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)C1CC2CCC(C1)N2C(=O)OC(F)(F)F
InChIInChI=1S/C12H18F3NO2/c1-7(2)8-5-9-3-4-10(6-8)16(9)11(17)18-12(13,14)15/h7-10H,3-6H2,1-2H3
InChIKeyJOUJLNFHSZYGIL-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.54
Rot. Bonds1

About trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate

trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 59598940) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametrifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID59598940
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Nametrifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)C1CC2CCC(C1)N2C(=O)OC(F)(F)F
InChIInChI=1S/C12H18F3NO2/c1-7(2)8-5-9-3-4-10(6-8)16(9)11(17)18-12(13,14)15/h7-10H,3-6H2,1-2H3
InChIKeyJOUJLNFHSZYGIL-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 59598940) is trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)C1CC2CCC(C1)N2C(=O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is JOUJLNFHSZYGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c1-7(2)8-5-9-3-4-10(6-8)16(9)11(17)18-12(13,14)15/h7-10H,3-6H2,1-2H3.
What are the key properties of trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 265.27 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 59598940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).