8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine

C9H15F3N2 — CID 18919607

IUPAC8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2CC(F)(F)F
InChIInChI=1S/C9H15F3N2/c10-9(11,12)5-14-7-1-2-8(14)4-6(13)3-7/h6-8H,1-5,13H2
InChIKeyFVEGNLPZFSQOKN-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.50
Rot. Bonds1

About 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 18919607) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID18919607
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2CC(F)(F)F
InChIInChI=1S/C9H15F3N2/c10-9(11,12)5-14-7-1-2-8(14)4-6(13)3-7/h6-8H,1-5,13H2
InChIKeyFVEGNLPZFSQOKN-UHFFFAOYSA-N
XLogP1.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 18919607) is 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2CC(F)(F)F.
What is the InChIKey of 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FVEGNLPZFSQOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c10-9(11,12)5-14-7-1-2-8(14)4-6(13)3-7/h6-8H,1-5,13H2.
What are the key properties of 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 208.23 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 18919607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).