pyrrolidin-2-one;2,2,2-trifluoroethanol

C6H10F3NO2 — CID 174808759

IUPACpyrrolidin-2-one;2,2,2-trifluoroethanol
SMILESO=C1CCCN1.OCC(F)(F)F
InChIInChI=1S/C4H7NO.C2H3F3O/c6-4-2-1-3-5-4;3-2(4,5)1-6/h1-3H2,(H,5,6);6H,1H2
InChIKeyUNTSQSGBOOKMEL-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.44
Rot. Bonds

About pyrrolidin-2-one;2,2,2-trifluoroethanol

pyrrolidin-2-one;2,2,2-trifluoroethanol (PubChem CID 174808759) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is pyrrolidin-2-one;2,2,2-trifluoroethanol.

Molecular Properties

Compound Namepyrrolidin-2-one;2,2,2-trifluoroethanol
PubChem CID174808759
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Namepyrrolidin-2-one;2,2,2-trifluoroethanol
SMILESO=C1CCCN1.OCC(F)(F)F
InChIInChI=1S/C4H7NO.C2H3F3O/c6-4-2-1-3-5-4;3-2(4,5)1-6/h1-3H2,(H,5,6);6H,1H2
InChIKeyUNTSQSGBOOKMEL-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-one;2,2,2-trifluoroethanol?
The IUPAC name of pyrrolidin-2-one;2,2,2-trifluoroethanol (CID 174808759) is pyrrolidin-2-one;2,2,2-trifluoroethanol.
What is the SMILES notation for pyrrolidin-2-one;2,2,2-trifluoroethanol?
The canonical SMILES for pyrrolidin-2-one;2,2,2-trifluoroethanol is O=C1CCCN1.OCC(F)(F)F.
What is the InChIKey of pyrrolidin-2-one;2,2,2-trifluoroethanol?
The InChIKey is UNTSQSGBOOKMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H3F3O/c6-4-2-1-3-5-4;3-2(4,5)1-6/h1-3H2,(H,5,6);6H,1H2.
What are the key properties of pyrrolidin-2-one;2,2,2-trifluoroethanol?
pyrrolidin-2-one;2,2,2-trifluoroethanol has a molecular weight of 185.14 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-one;2,2,2-trifluoroethanol is sourced from PubChem (CID 174808759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).