3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid

C7H10F2N2O3 — CID 86640217

IUPAC3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCN1CC(C(=O)O)N(CC(F)F)C1=O
InChIInChI=1S/C7H10F2N2O3/c1-10-2-4(6(12)13)11(7(10)14)3-5(8)9/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyRYMGGSXQNYOEKH-UHFFFAOYSA-N
MW208.16 g/mol
LogP0.07
Rot. Bonds3

About 3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid

3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid (PubChem CID 86640217) has the molecular formula C7H10F2N2O3 and a molecular weight of 208.16 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid
PubChem CID86640217
Molecular FormulaC7H10F2N2O3
Molecular Weight208.16 g/mol
Exact Mass208.07
IUPAC Name3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCN1CC(C(=O)O)N(CC(F)F)C1=O
InChIInChI=1S/C7H10F2N2O3/c1-10-2-4(6(12)13)11(7(10)14)3-5(8)9/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyRYMGGSXQNYOEKH-UHFFFAOYSA-N
XLogP0.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid
CID 68720122
(4R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 67130092
1-[2-chloro-2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 82214513
1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 68718129
(4S)-3-[(2S)-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 13456357
(4S)-N-[(2,4-dichloro-6-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 71457940
(2R)-2-fluoro-4-[(5S)-3-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]butanoic acid
CID 174020090
4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid
CID 66509723
8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid
CID 70520475
1-propylaziridine-2-carboxylic acid
CID 59817296
3-(2,2-difluoroethyl)-1-methylpiperidine-4-carboxylic acid
CID 115025039
(3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylic acid
CID 28869402

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid?
The IUPAC name of 3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid (CID 86640217) is 3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid is CN1CC(C(=O)O)N(CC(F)F)C1=O.
What is the InChIKey of 3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid?
The InChIKey is RYMGGSXQNYOEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O3/c1-10-2-4(6(12)13)11(7(10)14)3-5(8)9/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid?
3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid has a molecular weight of 208.16 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 86640217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).