1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid

C7H10F3NO3 — CID 161235254

IUPAC1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESCN1CCCC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9NO.C2HF3O2/c1-6-4-2-3-5(6)7;3-2(4,5)1(6)7/h2-4H2,1H3;(H,6,7)
InChIKeyUZGYNVCDAOWNDL-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.87
Rot. Bonds

About 1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid

1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 161235254) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID161235254
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESCN1CCCC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9NO.C2HF3O2/c1-6-4-2-3-5(6)7;3-2(4,5)1(6)7/h2-4H2,1H3;(H,6,7)
InChIKeyUZGYNVCDAOWNDL-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrrolidinone TFA
CID 68694206
1-Pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 69742771
Pyrrolidine-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 71089524
4-(3,3-Difluoropyrrolidin-1-yl)-4-oxobutanoic acid
CID 116991710
2-Oxo-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 150359842
3-Fluoro-2-oxopyrrolidine-1-carboxylic acid
CID 151182164
3,3-Difluoro-1-methylpyrrolidin-2-one;ethane
CID 166457940
1-Ethyl-3,3-difluoropyrrolidin-2-one
CID 166828632
3,3-Difluoro-1-propylpyrrolidin-2-one
CID 167273930
1-(1,1-Difluoropropyl)pyrrolidin-2-one
CID 174968097
1-Methylpyrrolidin-2-one;1,1,2-trifluoroethanol
CID 175000943
Pyrrolidine-1-carbaldehyde;2,2,2-trifluoroacetic acid
CID 175213692

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid (CID 161235254) is 1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid is CN1CCCC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is UZGYNVCDAOWNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C2HF3O2/c1-6-4-2-3-5(6)7;3-2(4,5)1(6)7/h2-4H2,1H3;(H,6,7).
What are the key properties of 1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 213.15 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161235254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).