4-(trifluoromethyl)-1,2-dihydropyrrol-3-one

C5H4F3NO — CID 151576674

IUPAC4-(trifluoromethyl)-1,2-dihydropyrrol-3-one
SMILESO=C1CNC=C1C(F)(F)F
InChIInChI=1S/C5H4F3NO/c6-5(7,8)3-1-9-2-4(3)10/h1,9H,2H2
InChIKeyQFPDHIXKFIIHJS-UHFFFAOYSA-N
MW151.09 g/mol
LogP0.60
Rot. Bonds

About 4-(trifluoromethyl)-1,2-dihydropyrrol-3-one

4-(trifluoromethyl)-1,2-dihydropyrrol-3-one (PubChem CID 151576674) has the molecular formula C5H4F3NO and a molecular weight of 151.09 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,2-dihydropyrrol-3-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,2-dihydropyrrol-3-one
PubChem CID151576674
Molecular FormulaC5H4F3NO
Molecular Weight151.09 g/mol
Exact Mass151.02
IUPAC Name4-(trifluoromethyl)-1,2-dihydropyrrol-3-one
SMILESO=C1CNC=C1C(F)(F)F
InChIInChI=1S/C5H4F3NO/c6-5(7,8)3-1-9-2-4(3)10/h1,9H,2H2
InChIKeyQFPDHIXKFIIHJS-UHFFFAOYSA-N
XLogP0.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,2-dihydropyrrol-3-one?
The IUPAC name of 4-(trifluoromethyl)-1,2-dihydropyrrol-3-one (CID 151576674) is 4-(trifluoromethyl)-1,2-dihydropyrrol-3-one.
What is the SMILES notation for 4-(trifluoromethyl)-1,2-dihydropyrrol-3-one?
The canonical SMILES for 4-(trifluoromethyl)-1,2-dihydropyrrol-3-one is O=C1CNC=C1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)-1,2-dihydropyrrol-3-one?
The InChIKey is QFPDHIXKFIIHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO/c6-5(7,8)3-1-9-2-4(3)10/h1,9H,2H2.
What are the key properties of 4-(trifluoromethyl)-1,2-dihydropyrrol-3-one?
4-(trifluoromethyl)-1,2-dihydropyrrol-3-one has a molecular weight of 151.09 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 151576674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).