1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone

C9H15F3N2O — CID 64591868

IUPAC1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESCN(C)CC1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-13(2)6-7-4-3-5-14(7)8(15)9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyMZNUHOOFLVQBII-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.10
Rot. Bonds2

About 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone

1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 64591868) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID64591868
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESCN(C)CC1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-13(2)6-7-4-3-5-14(7)8(15)9(10,11)12/h7H,3-6H2,1-2H3
InChIKeyMZNUHOOFLVQBII-UHFFFAOYSA-N
XLogP1.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone (CID 64591868) is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone is CN(C)CC1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is MZNUHOOFLVQBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-13(2)6-7-4-3-5-14(7)8(15)9(10,11)12/h7H,3-6H2,1-2H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 224.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 64591868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).