3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C7H11F3N2O3 — CID 106668553

IUPAC3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CC(O)C(O)C1
InChIInChI=1S/C7H11F3N2O3/c8-7(9,10)3-11-6(15)12-1-4(13)5(14)2-12/h4-5,13-14H,1-3H2,(H,11,15)
InChIKeyFDAWDTUWNKYYHB-UHFFFAOYSA-N
MW228.17 g/mol
LogP-0.70
Rot. Bonds1

About 3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 106668553) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID106668553
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CC(O)C(O)C1
InChIInChI=1S/C7H11F3N2O3/c8-7(9,10)3-11-6(15)12-1-4(13)5(14)2-12/h4-5,13-14H,1-3H2,(H,11,15)
InChIKeyFDAWDTUWNKYYHB-UHFFFAOYSA-N
XLogP-0.70
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 106668553) is 3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is O=C(NCC(F)(F)F)N1CC(O)C(O)C1.
What is the InChIKey of 3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is FDAWDTUWNKYYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c8-7(9,10)3-11-6(15)12-1-4(13)5(14)2-12/h4-5,13-14H,1-3H2,(H,11,15).
What are the key properties of 3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 228.17 g/mol, XLogP of -0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 106668553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).