1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol

C7H12F3NO2 — CID 175000943

IUPAC1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol
SMILESCN1CCCC1=O.OC(F)(F)CF
InChIInChI=1S/C5H9NO.C2H3F3O/c1-6-4-2-3-5(6)7;3-1-2(4,5)6/h2-4H2,1H3;6H,1H2
InChIKeyGBLBREXZHFFOGH-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.78
Rot. Bonds1

About 1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol

1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol (PubChem CID 175000943) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol.

Molecular Properties

Compound Name1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol
PubChem CID175000943
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol
SMILESCN1CCCC1=O.OC(F)(F)CF
InChIInChI=1S/C5H9NO.C2H3F3O/c1-6-4-2-3-5(6)7;3-1-2(4,5)6/h2-4H2,1H3;6H,1H2
InChIKeyGBLBREXZHFFOGH-UHFFFAOYSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol?
The IUPAC name of 1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol (CID 175000943) is 1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol.
What is the SMILES notation for 1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol?
The canonical SMILES for 1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol is CN1CCCC1=O.OC(F)(F)CF.
What is the InChIKey of 1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol?
The InChIKey is GBLBREXZHFFOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C2H3F3O/c1-6-4-2-3-5(6)7;3-1-2(4,5)6/h2-4H2,1H3;6H,1H2.
What are the key properties of 1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol?
1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol has a molecular weight of 199.17 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-one;1,1,2-trifluoroethanol is sourced from PubChem (CID 175000943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).