(4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C7H10F3NO2 — CID 67116594

IUPAC(4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](CC(F)(F)F)CN1CO
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)2-5-1-6(13)11(3-5)4-12/h5,12H,1-4H2/t5-/m1/s1
InChIKeyKGLIAJGHWDBZJQ-RXMQYKEDSA-N
MW197.16 g/mol
LogP0.74
Rot. Bonds2

About (4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 67116594) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID67116594
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](CC(F)(F)F)CN1CO
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)2-5-1-6(13)11(3-5)4-12/h5,12H,1-4H2/t5-/m1/s1
InChIKeyKGLIAJGHWDBZJQ-RXMQYKEDSA-N
XLogP0.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 67116594) is (4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1C[C@H](CC(F)(F)F)CN1CO.
What is the InChIKey of (4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is KGLIAJGHWDBZJQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)2-5-1-6(13)11(3-5)4-12/h5,12H,1-4H2/t5-/m1/s1.
What are the key properties of (4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 197.16 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(hydroxymethyl)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 67116594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).