1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone

C16H23F3N2O — CID 11290046

IUPAC1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone
SMILESCCCN(CCC)[C@H]1CCn2c(ccc2C(=O)C(F)(F)F)C1
InChIInChI=1S/C16H23F3N2O/c1-3-8-20(9-4-2)12-7-10-21-13(11-12)5-6-14(21)15(22)16(17,18)19/h5-6,12H,3-4,7-11H2,1-2H3/t12-/m0/s1
InChIKeyFWLGDHKTYMRCAQ-LBPRGKRZSA-N
MW316.37 g/mol
LogP3.67
Rot. Bonds6

About 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone

1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone (PubChem CID 11290046) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone
PubChem CID11290046
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone
SMILESCCCN(CCC)[C@H]1CCn2c(ccc2C(=O)C(F)(F)F)C1
InChIInChI=1S/C16H23F3N2O/c1-3-8-20(9-4-2)12-7-10-21-13(11-12)5-6-14(21)15(22)16(17,18)19/h5-6,12H,3-4,7-11H2,1-2H3/t12-/m0/s1
InChIKeyFWLGDHKTYMRCAQ-LBPRGKRZSA-N
XLogP3.67
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone (CID 11290046) is 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone is CCCN(CCC)[C@H]1CCn2c(ccc2C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone?
The InChIKey is FWLGDHKTYMRCAQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-3-8-20(9-4-2)12-7-10-21-13(11-12)5-6-14(21)15(22)16(17,18)19/h5-6,12H,3-4,7-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone?
1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone has a molecular weight of 316.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 11290046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).