1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide

C7H12F2N2O2 — CID 130538433

IUPAC1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide
SMILESNC(=O)C1(O)CCN(CC(F)F)C1
InChIInChI=1S/C7H12F2N2O2/c8-5(9)3-11-2-1-7(13,4-11)6(10)12/h5,13H,1-4H2,(H2,10,12)
InChIKeyFZIYYOMEYWSLOL-UHFFFAOYSA-N
MW194.18 g/mol
LogP-0.83
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide

1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide (PubChem CID 130538433) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide
PubChem CID130538433
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide
SMILESNC(=O)C1(O)CCN(CC(F)F)C1
InChIInChI=1S/C7H12F2N2O2/c8-5(9)3-11-2-1-7(13,4-11)6(10)12/h5,13H,1-4H2,(H2,10,12)
InChIKeyFZIYYOMEYWSLOL-UHFFFAOYSA-N
XLogP-0.83
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide (CID 130538433) is 1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide is NC(=O)C1(O)CCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide?
The InChIKey is FZIYYOMEYWSLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c8-5(9)3-11-2-1-7(13,4-11)6(10)12/h5,13H,1-4H2,(H2,10,12).
What are the key properties of 1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide?
1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide has a molecular weight of 194.18 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-hydroxypyrrolidine-3-carboxamide is sourced from PubChem (CID 130538433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).