1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one

C7H10F3NO2 — CID 25029672

IUPAC1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(O)CC(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)4-6(13)11-3-1-2-5(11)12/h6,13H,1-4H2
InChIKeyRFHRKNHEYSQLBU-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.88
Rot. Bonds2

About 1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one

1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one (PubChem CID 25029672) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one
PubChem CID25029672
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(O)CC(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)4-6(13)11-3-1-2-5(11)12/h6,13H,1-4H2
InChIKeyRFHRKNHEYSQLBU-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one (CID 25029672) is 1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one is O=C1CCCN1C(O)CC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one?
The InChIKey is RFHRKNHEYSQLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)4-6(13)11-3-1-2-5(11)12/h6,13H,1-4H2.
What are the key properties of 1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one?
1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one has a molecular weight of 197.16 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-1-hydroxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 25029672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).