1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

C11H20F3N3O2 — CID 79261541

IUPAC1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCN(C)CC1CC(O)CN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-16(2)5-8-3-9(18)6-17(8)10(19)4-15-7-11(12,13)14/h8-9,15,18H,3-7H2,1-2H3
InChIKeyLAIBIAMYXVKSMU-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.34
Rot. Bonds5

About 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 79261541) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID79261541
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCN(C)CC1CC(O)CN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-16(2)5-8-3-9(18)6-17(8)10(19)4-15-7-11(12,13)14/h8-9,15,18H,3-7H2,1-2H3
InChIKeyLAIBIAMYXVKSMU-UHFFFAOYSA-N
XLogP-0.34
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 79261541) is 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is CN(C)CC1CC(O)CN1C(=O)CNCC(F)(F)F.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is LAIBIAMYXVKSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-16(2)5-8-3-9(18)6-17(8)10(19)4-15-7-11(12,13)14/h8-9,15,18H,3-7H2,1-2H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 283.29 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 79261541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).