N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C10H16F2N2O3 — CID 107483169

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(CCO)CC(F)F)CC1=O
InChIInChI=1S/C10H16F2N2O3/c1-13-5-7(4-9(13)16)10(17)14(2-3-15)6-8(11)12/h7-8,15H,2-6H2,1H3
InChIKeyIVBOGGQAOTUKOM-UHFFFAOYSA-N
MW250.24 g/mol
LogP-0.45
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 107483169) has the molecular formula C10H16F2N2O3 and a molecular weight of 250.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID107483169
Molecular FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(CCO)CC(F)F)CC1=O
InChIInChI=1S/C10H16F2N2O3/c1-13-5-7(4-9(13)16)10(17)14(2-3-15)6-8(11)12/h7-8,15H,2-6H2,1H3
InChIKeyIVBOGGQAOTUKOM-UHFFFAOYSA-N
XLogP-0.45
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Difluoro-1-(2-hydroxyethyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 58590238
1-(2-Hydroxyethyl)-3,4-dimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 58590250
N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419594
N-(1-hydroxybutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419704
N-(2-hydroxypropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43427732
N-(1-hydroxypropan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43427756
N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43500686
N-(2-hydroxyethyl)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43573450
N-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43576599
N-(2-hydroxypropyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55060626
4-(3-Hydroxyazetidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 55179168
N-(2-hydroxyethyl)-N-methyl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60749980

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 107483169) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)N(CCO)CC(F)F)CC1=O.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IVBOGGQAOTUKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O3/c1-13-5-7(4-9(13)16)10(17)14(2-3-15)6-8(11)12/h7-8,15H,2-6H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 250.24 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 107483169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).