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

C8H12F2N2O3 — CID 103770148

IUPACN-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCC(O)C(F)F)CN1
InChIInChI=1S/C8H12F2N2O3/c9-7(10)5(13)3-12-8(15)4-1-6(14)11-2-4/h4-5,7,13H,1-3H2,(H,11,14)(H,12,15)
InChIKeyLMYRMJNFEHVKAR-UHFFFAOYSA-N
MW222.19 g/mol
LogP-1.14
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 103770148) has the molecular formula C8H12F2N2O3 and a molecular weight of 222.19 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID103770148
Molecular FormulaC8H12F2N2O3
Molecular Weight222.19 g/mol
Exact Mass222.08
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCC(O)C(F)F)CN1
InChIInChI=1S/C8H12F2N2O3/c9-7(10)5(13)3-12-8(15)4-1-6(14)11-2-4/h4-5,7,13H,1-3H2,(H,11,14)(H,12,15)
InChIKeyLMYRMJNFEHVKAR-UHFFFAOYSA-N
XLogP-1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-{[(3R,4S)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide
CID 59026159
2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 59295712
(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride
CID 67293819
[(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 67293822
(3,3-Difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 67293829
(3,3-Difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 67293830
2,2,2-trifluoro-N-{[(3R,4S)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide HCl
CID 86616820
2,2,2-trifluoro-N-{[(3S,4R)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide
CID 86646245
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide
CID 87799914
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103723054
3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103723188

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide (CID 103770148) is N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)NCC(O)C(F)F)CN1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LMYRMJNFEHVKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O3/c9-7(10)5(13)3-12-8(15)4-1-6(14)11-2-4/h4-5,7,13H,1-3H2,(H,11,14)(H,12,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 222.19 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 103770148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).