2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C11H20F3N3O2 — CID 66052641

IUPAC2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C)CC1CC(O)CN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-16(2)4-8-3-9(18)5-17(8)6-10(19)15-7-11(12,13)14/h8-9,18H,3-7H2,1-2H3,(H,15,19)
InChIKeyDNNGQECOHODEOU-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.34
Rot. Bonds5

About 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66052641) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66052641
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C)CC1CC(O)CN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-16(2)4-8-3-9(18)5-17(8)6-10(19)15-7-11(12,13)14/h8-9,18H,3-7H2,1-2H3,(H,15,19)
InChIKeyDNNGQECOHODEOU-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 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 66052641) is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CN(C)CC1CC(O)CN1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DNNGQECOHODEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-16(2)4-8-3-9(18)5-17(8)6-10(19)15-7-11(12,13)14/h8-9,18H,3-7H2,1-2H3,(H,15,19).
What are the key properties of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide 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 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66052641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).