N-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine

C11H17F3N2 — CID 106210657

IUPACN-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESFC(F)(F)C1(NC2CN3CCC2CC3)CC1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)10(3-4-10)15-9-7-16-5-1-8(9)2-6-16/h8-9,15H,1-7H2
InChIKeyKIUUFHQXFSETIL-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.77
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine

N-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 106210657) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID106210657
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESFC(F)(F)C1(NC2CN3CCC2CC3)CC1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)10(3-4-10)15-9-7-16-5-1-8(9)2-6-16/h8-9,15H,1-7H2
InChIKeyKIUUFHQXFSETIL-UHFFFAOYSA-N
XLogP1.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 106210657) is N-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine is FC(F)(F)C1(NC2CN3CCC2CC3)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is KIUUFHQXFSETIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c12-11(13,14)10(3-4-10)15-9-7-16-5-1-8(9)2-6-16/h8-9,15H,1-7H2.
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 234.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 106210657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).