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

C6H5F4NO — CID 173378915

IUPAC2-(fluoromethyl)-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one
SMILESO=C1C(C(F)(F)F)=CNC1CF
InChIInChI=1S/C6H5F4NO/c7-1-4-5(12)3(2-11-4)6(8,9)10/h2,4,11H,1H2
InChIKeyGQOZUWDYAJOGAR-UHFFFAOYSA-N
MW183.10 g/mol
LogP0.94
Rot. Bonds1

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

2-(fluoromethyl)-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one (PubChem CID 173378915) has the molecular formula C6H5F4NO and a molecular weight of 183.10 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one.

Molecular Properties

Compound Name2-(fluoromethyl)-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one
PubChem CID173378915
Molecular FormulaC6H5F4NO
Molecular Weight183.10 g/mol
Exact Mass183.03
IUPAC Name2-(fluoromethyl)-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one
SMILESO=C1C(C(F)(F)F)=CNC1CF
InChIInChI=1S/C6H5F4NO/c7-1-4-5(12)3(2-11-4)6(8,9)10/h2,4,11H,1H2
InChIKeyGQOZUWDYAJOGAR-UHFFFAOYSA-N
XLogP0.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one?
The IUPAC name of 2-(fluoromethyl)-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one (CID 173378915) is 2-(fluoromethyl)-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one.
What is the SMILES notation for 2-(fluoromethyl)-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one?
The canonical SMILES for 2-(fluoromethyl)-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one is O=C1C(C(F)(F)F)=CNC1CF.
What is the InChIKey of 2-(fluoromethyl)-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one?
The InChIKey is GQOZUWDYAJOGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4NO/c7-1-4-5(12)3(2-11-4)6(8,9)10/h2,4,11H,1H2.
What are the key properties of 2-(fluoromethyl)-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one?
2-(fluoromethyl)-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one has a molecular weight of 183.10 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-(trifluoromethyl)-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 173378915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).