2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C8H13F3N2O3 — CID 79419412

IUPAC2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C[C@@H](O)[C@@H](O)C1)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c9-8(10,11)4-12-7(16)3-13-1-5(14)6(15)2-13/h5-6,14-15H,1-4H2,(H,12,16)/t5-,6+
InChIKeySOFWPLDGDMUBFM-OLQVQODUSA-N
MW242.20 g/mol
LogP-1.30
Rot. Bonds3

About 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79419412) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79419412
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C[C@@H](O)[C@@H](O)C1)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c9-8(10,11)4-12-7(16)3-13-1-5(14)6(15)2-13/h5-6,14-15H,1-4H2,(H,12,16)/t5-,6+
InChIKeySOFWPLDGDMUBFM-OLQVQODUSA-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 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 79419412) is 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1C[C@@H](O)[C@@H](O)C1)NCC(F)(F)F.
What is the InChIKey of 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SOFWPLDGDMUBFM-OLQVQODUSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c9-8(10,11)4-12-7(16)3-13-1-5(14)6(15)2-13/h5-6,14-15H,1-4H2,(H,12,16)/t5-,6+.
What are the key properties of 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide 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 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79419412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).