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

C7H8F3NO — CID 153361508

IUPAC3-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(CCC(F)(F)F)CN1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)2-1-5-3-6(12)11-4-5/h3H,1-2,4H2,(H,11,12)
InChIKeyGMGRWJMUKIGLEE-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.39
Rot. Bonds2

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

3-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one (PubChem CID 153361508) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one
PubChem CID153361508
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name3-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(CCC(F)(F)F)CN1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)2-1-5-3-6(12)11-4-5/h3H,1-2,4H2,(H,11,12)
InChIKeyGMGRWJMUKIGLEE-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one (CID 153361508) is 3-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one is O=C1C=C(CCC(F)(F)F)CN1.
What is the InChIKey of 3-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one?
The InChIKey is GMGRWJMUKIGLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c8-7(9,10)2-1-5-3-6(12)11-4-5/h3H,1-2,4H2,(H,11,12).
What are the key properties of 3-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one?
3-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one has a molecular weight of 179.14 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 153361508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).