2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one

C6H5F4NO — CID 173378782

IUPAC2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one
SMILESO=C1C(C(F)F)=CNC1C(F)F
InChIInChI=1S/C6H5F4NO/c7-5(8)2-1-11-3(4(2)12)6(9)10/h1,3,5-6,11H
InChIKeyWQRICARCQMZXMO-UHFFFAOYSA-N
MW183.10 g/mol
LogP0.94
Rot. Bonds2

About 2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one

2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one (PubChem CID 173378782) has the molecular formula C6H5F4NO and a molecular weight of 183.10 g/mol. Its IUPAC name is 2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one.

Molecular Properties

Compound Name2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one
PubChem CID173378782
Molecular FormulaC6H5F4NO
Molecular Weight183.10 g/mol
Exact Mass183.03
IUPAC Name2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one
SMILESO=C1C(C(F)F)=CNC1C(F)F
InChIInChI=1S/C6H5F4NO/c7-5(8)2-1-11-3(4(2)12)6(9)10/h1,3,5-6,11H
InChIKeyWQRICARCQMZXMO-UHFFFAOYSA-N
XLogP0.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one?
The IUPAC name of 2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one (CID 173378782) is 2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one.
What is the SMILES notation for 2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one?
The canonical SMILES for 2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one is O=C1C(C(F)F)=CNC1C(F)F.
What is the InChIKey of 2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one?
The InChIKey is WQRICARCQMZXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4NO/c7-5(8)2-1-11-3(4(2)12)6(9)10/h1,3,5-6,11H.
What are the key properties of 2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one?
2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one has a molecular weight of 183.10 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(difluoromethyl)-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 173378782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).