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

C10H17F3N2 — CID 140929244

IUPAC3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESNC1C2CCC1CN(CCC(F)(F)F)C2
InChIInChI=1S/C10H17F3N2/c11-10(12,13)3-4-15-5-7-1-2-8(6-15)9(7)14/h7-9H,1-6,14H2
InChIKeyAAPAKQVQXZYGEW-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.61
Rot. Bonds2

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

3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 140929244) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID140929244
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESNC1C2CCC1CN(CCC(F)(F)F)C2
InChIInChI=1S/C10H17F3N2/c11-10(12,13)3-4-15-5-7-1-2-8(6-15)9(7)14/h7-9H,1-6,14H2
InChIKeyAAPAKQVQXZYGEW-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of 3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine (CID 140929244) is 3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for 3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for 3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine is NC1C2CCC1CN(CCC(F)(F)F)C2.
What is the InChIKey of 3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is AAPAKQVQXZYGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c11-10(12,13)3-4-15-5-7-1-2-8(6-15)9(7)14/h7-9H,1-6,14H2.
What are the key properties of 3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 222.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 140929244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).