3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one

C7H10F3NO2 — CID 177263028

IUPAC3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCN1C(=O)C(C)(O)CC1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-6(13)3-4(7(8,9)10)11(2)5(6)12/h4,13H,3H2,1-2H3
InChIKeyZHTRWAGHUAUCMW-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.53
Rot. Bonds

About 3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one

3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 177263028) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one
PubChem CID177263028
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one
SMILESCN1C(=O)C(C)(O)CC1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-6(13)3-4(7(8,9)10)11(2)5(6)12/h4,13H,3H2,1-2H3
InChIKeyZHTRWAGHUAUCMW-UHFFFAOYSA-N
XLogP0.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one (CID 177263028) is 3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one is CN1C(=O)C(C)(O)CC1C(F)(F)F.
What is the InChIKey of 3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is ZHTRWAGHUAUCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-6(13)3-4(7(8,9)10)11(2)5(6)12/h4,13H,3H2,1-2H3.
What are the key properties of 3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one?
3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 197.16 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,3-dimethyl-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 177263028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).