4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine

C8H13F3N2 — CID 105366105

IUPAC4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESNC1(C(F)(F)F)CCN2CCC1C2
InChIInChI=1S/C8H13F3N2/c9-8(10,11)7(12)2-4-13-3-1-6(7)5-13/h6H,1-5,12H2
InChIKeyDGKOGMWVVLSEFM-UHFFFAOYSA-N
MW194.20 g/mol
LogP0.97
Rot. Bonds

About 4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine

4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105366105) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105366105
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESNC1(C(F)(F)F)CCN2CCC1C2
InChIInChI=1S/C8H13F3N2/c9-8(10,11)7(12)2-4-13-3-1-6(7)5-13/h6H,1-5,12H2
InChIKeyDGKOGMWVVLSEFM-UHFFFAOYSA-N
XLogP0.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of 4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105366105) is 4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for 4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for 4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine is NC1(C(F)(F)F)CCN2CCC1C2.
What is the InChIKey of 4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is DGKOGMWVVLSEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c9-8(10,11)7(12)2-4-13-3-1-6(7)5-13/h6H,1-5,12H2.
What are the key properties of 4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine?
4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 194.20 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105366105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).