2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one

C7H8F3NO — CID 146240825

IUPAC2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one
SMILESO=C1C=CC(CCC(F)(F)F)N1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)4-3-5-1-2-6(12)11-5/h1-2,5H,3-4H2,(H,11,12)
InChIKeyWDLKLXPGLGRSTI-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.38
Rot. Bonds2

About 2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one

2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one (PubChem CID 146240825) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one
PubChem CID146240825
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one
SMILESO=C1C=CC(CCC(F)(F)F)N1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)4-3-5-1-2-6(12)11-5/h1-2,5H,3-4H2,(H,11,12)
InChIKeyWDLKLXPGLGRSTI-UHFFFAOYSA-N
XLogP1.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one (CID 146240825) is 2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one is O=C1C=CC(CCC(F)(F)F)N1.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one?
The InChIKey is WDLKLXPGLGRSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c8-7(9,10)4-3-5-1-2-6(12)11-5/h1-2,5H,3-4H2,(H,11,12).
What are the key properties of 2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one?
2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one has a molecular weight of 179.14 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 146240825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).