1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C8H13F3N2O3 — CID 106669187

IUPAC1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CC(O)C(O)C1
InChIInChI=1S/C8H13F3N2O3/c9-8(10,11)4-12-1-7(16)13-2-5(14)6(15)3-13/h5-6,12,14-15H,1-4H2
InChIKeyDFVKGQWDVXKYMN-UHFFFAOYSA-N
MW242.20 g/mol
LogP-1.30
Rot. Bonds3

About 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 106669187) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID106669187
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CC(O)C(O)C1
InChIInChI=1S/C8H13F3N2O3/c9-8(10,11)4-12-1-7(16)13-2-5(14)6(15)3-13/h5-6,12,14-15H,1-4H2
InChIKeyDFVKGQWDVXKYMN-UHFFFAOYSA-N
XLogP-1.30
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 106669187) is 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)N1CC(O)C(O)C1.
What is the InChIKey of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is DFVKGQWDVXKYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c9-8(10,11)4-12-1-7(16)13-2-5(14)6(15)3-13/h5-6,12,14-15H,1-4H2.
What are the key properties of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 242.20 g/mol, XLogP of -1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 106669187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).