4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane

C13H14F3N — CID 115063882

IUPAC4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane
SMILESFC(F)(F)c1ccc(C23CCC(C2)NC3)cc1
InChIInChI=1S/C13H14F3N/c14-13(15,16)10-3-1-9(2-4-10)12-6-5-11(7-12)17-8-12/h1-4,11,17H,5-8H2
InChIKeyAQZDFTQGTJHVNE-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.10
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane

4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane (PubChem CID 115063882) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane
PubChem CID115063882
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane
SMILESFC(F)(F)c1ccc(C23CCC(C2)NC3)cc1
InChIInChI=1S/C13H14F3N/c14-13(15,16)10-3-1-9(2-4-10)12-6-5-11(7-12)17-8-12/h1-4,11,17H,5-8H2
InChIKeyAQZDFTQGTJHVNE-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane (CID 115063882) is 4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane is FC(F)(F)c1ccc(C23CCC(C2)NC3)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane?
The InChIKey is AQZDFTQGTJHVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c14-13(15,16)10-3-1-9(2-4-10)12-6-5-11(7-12)17-8-12/h1-4,11,17H,5-8H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane?
4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane has a molecular weight of 241.26 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 115063882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).