N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C9H14F2N2O3 — CID 104857614

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCC(F)(F)CO)CC1=O
InChIInChI=1S/C9H14F2N2O3/c1-13-3-6(2-7(13)15)8(16)12-4-9(10,11)5-14/h6,14H,2-5H2,1H3,(H,12,16)
InChIKeySAQBAYOAXMAEIN-UHFFFAOYSA-N
MW236.22 g/mol
LogP-0.79
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 104857614) has the molecular formula C9H14F2N2O3 and a molecular weight of 236.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID104857614
Molecular FormulaC9H14F2N2O3
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCC(F)(F)CO)CC1=O
InChIInChI=1S/C9H14F2N2O3/c1-13-3-6(2-7(13)15)8(16)12-4-9(10,11)5-14/h6,14H,2-5H2,1H3,(H,12,16)
InChIKeySAQBAYOAXMAEIN-UHFFFAOYSA-N
XLogP-0.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 104857614) is N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCC(F)(F)CO)CC1=O.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SAQBAYOAXMAEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3/c1-13-3-6(2-7(13)15)8(16)12-4-9(10,11)5-14/h6,14H,2-5H2,1H3,(H,12,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 236.22 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 104857614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).