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

C6H4F5NO — CID 173378801

IUPAC4-(difluoromethyl)-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one
SMILESO=C1C(C(F)F)=CNC1C(F)(F)F
InChIInChI=1S/C6H4F5NO/c7-5(8)2-1-12-4(3(2)13)6(9,10)11/h1,4-5,12H
InChIKeyLKPYLTKMKNKSHB-UHFFFAOYSA-N
MW201.09 g/mol
LogP1.24
Rot. Bonds1

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

4-(difluoromethyl)-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one (PubChem CID 173378801) has the molecular formula C6H4F5NO and a molecular weight of 201.09 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one
PubChem CID173378801
Molecular FormulaC6H4F5NO
Molecular Weight201.09 g/mol
Exact Mass201.02
IUPAC Name4-(difluoromethyl)-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one
SMILESO=C1C(C(F)F)=CNC1C(F)(F)F
InChIInChI=1S/C6H4F5NO/c7-5(8)2-1-12-4(3(2)13)6(9,10)11/h1,4-5,12H
InChIKeyLKPYLTKMKNKSHB-UHFFFAOYSA-N
XLogP1.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.09
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one?
The IUPAC name of 4-(difluoromethyl)-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one (CID 173378801) is 4-(difluoromethyl)-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one.
What is the SMILES notation for 4-(difluoromethyl)-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one?
The canonical SMILES for 4-(difluoromethyl)-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one is O=C1C(C(F)F)=CNC1C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one?
The InChIKey is LKPYLTKMKNKSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F5NO/c7-5(8)2-1-12-4(3(2)13)6(9,10)11/h1,4-5,12H.
What are the key properties of 4-(difluoromethyl)-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one?
4-(difluoromethyl)-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one has a molecular weight of 201.09 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(trifluoromethyl)-1,2-dihydropyrrol-3-one is sourced from PubChem (CID 173378801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).