3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine

C12H17F3N2 — CID 71161189

IUPAC3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine
SMILESCC(C)c1c(C(F)(F)F)cc2n1CCC(N)C2
InChIInChI=1S/C12H17F3N2/c1-7(2)11-10(12(13,14)15)6-9-5-8(16)3-4-17(9)11/h6-8H,3-5,16H2,1-2H3
InChIKeyFKSPLKJNXYYIHI-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.90
Rot. Bonds1

About 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine

3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine (PubChem CID 71161189) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine.

Molecular Properties

Compound Name3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine
PubChem CID71161189
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine
SMILESCC(C)c1c(C(F)(F)F)cc2n1CCC(N)C2
InChIInChI=1S/C12H17F3N2/c1-7(2)11-10(12(13,14)15)6-9-5-8(16)3-4-17(9)11/h6-8H,3-5,16H2,1-2H3
InChIKeyFKSPLKJNXYYIHI-UHFFFAOYSA-N
XLogP2.90
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine?
The IUPAC name of 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine (CID 71161189) is 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine.
What is the SMILES notation for 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine?
The canonical SMILES for 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine is CC(C)c1c(C(F)(F)F)cc2n1CCC(N)C2.
What is the InChIKey of 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine?
The InChIKey is FKSPLKJNXYYIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-7(2)11-10(12(13,14)15)6-9-5-8(16)3-4-17(9)11/h6-8H,3-5,16H2,1-2H3.
What are the key properties of 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine?
3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine has a molecular weight of 246.28 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine is sourced from PubChem (CID 71161189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).