8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane

C12H21F3N2O — CID 170278546

IUPAC8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CN(CCOC(F)(F)F)C2
InChIInChI=1S/C12H21F3N2O/c1-9(2)17-10-3-4-11(17)8-16(7-10)5-6-18-12(13,14)15/h9-11H,3-8H2,1-2H3
InChIKeyFQVRUXZFCJFBJD-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.08
Rot. Bonds4

About 8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane

8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 170278546) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID170278546
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CN(CCOC(F)(F)F)C2
InChIInChI=1S/C12H21F3N2O/c1-9(2)17-10-3-4-11(17)8-16(7-10)5-6-18-12(13,14)15/h9-11H,3-8H2,1-2H3
InChIKeyFQVRUXZFCJFBJD-UHFFFAOYSA-N
XLogP2.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane (CID 170278546) is 8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane is CC(C)N1C2CCC1CN(CCOC(F)(F)F)C2.
What is the InChIKey of 8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is FQVRUXZFCJFBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9(2)17-10-3-4-11(17)8-16(7-10)5-6-18-12(13,14)15/h9-11H,3-8H2,1-2H3.
What are the key properties of 8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane?
8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 266.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 170278546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).