ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine

C12H19F3N2 — CID 143205823

IUPACethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine
SMILESCC.Cc1c(C(F)(F)F)cc2n1CCC(N)C2
InChIInChI=1S/C10H13F3N2.C2H6/c1-6-9(10(11,12)13)5-8-4-7(14)2-3-15(6)8;1-2/h5,7H,2-4,14H2,1H3;1-2H3
InChIKeyGLKBBZGMLFGHCJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.12
Rot. Bonds

About ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine

ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine (PubChem CID 143205823) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine.

Molecular Properties

Compound Nameethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine
PubChem CID143205823
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Nameethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine
SMILESCC.Cc1c(C(F)(F)F)cc2n1CCC(N)C2
InChIInChI=1S/C10H13F3N2.C2H6/c1-6-9(10(11,12)13)5-8-4-7(14)2-3-15(6)8;1-2/h5,7H,2-4,14H2,1H3;1-2H3
InChIKeyGLKBBZGMLFGHCJ-UHFFFAOYSA-N
XLogP3.12
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine?
The IUPAC name of ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine (CID 143205823) is ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine.
What is the SMILES notation for ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine?
The canonical SMILES for ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine is CC.Cc1c(C(F)(F)F)cc2n1CCC(N)C2.
What is the InChIKey of ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine?
The InChIKey is GLKBBZGMLFGHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2.C2H6/c1-6-9(10(11,12)13)5-8-4-7(14)2-3-15(6)8;1-2/h5,7H,2-4,14H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine?
ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine has a molecular weight of 248.29 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine is sourced from PubChem (CID 143205823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).