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

C7H9F2NO — CID 175892745

IUPAC3-(2,2-difluoropropyl)-1,2-dihydropyrrol-5-one
SMILESCC(F)(F)CC1=CC(=O)NC1
InChIInChI=1S/C7H9F2NO/c1-7(8,9)3-5-2-6(11)10-4-5/h2H,3-4H2,1H3,(H,10,11)
InChIKeyWBODJKDSIGARBK-UHFFFAOYSA-N
MW161.15 g/mol
LogP1.09
Rot. Bonds2

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

3-(2,2-difluoropropyl)-1,2-dihydropyrrol-5-one (PubChem CID 175892745) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 3-(2,2-difluoropropyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-(2,2-difluoropropyl)-1,2-dihydropyrrol-5-one
PubChem CID175892745
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name3-(2,2-difluoropropyl)-1,2-dihydropyrrol-5-one
SMILESCC(F)(F)CC1=CC(=O)NC1
InChIInChI=1S/C7H9F2NO/c1-7(8,9)3-5-2-6(11)10-4-5/h2H,3-4H2,1H3,(H,10,11)
InChIKeyWBODJKDSIGARBK-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-(2,2-difluoropropyl)-1,2-dihydropyrrol-5-one (CID 175892745) is 3-(2,2-difluoropropyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-(2,2-difluoropropyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-(2,2-difluoropropyl)-1,2-dihydropyrrol-5-one is CC(F)(F)CC1=CC(=O)NC1.
What is the InChIKey of 3-(2,2-difluoropropyl)-1,2-dihydropyrrol-5-one?
The InChIKey is WBODJKDSIGARBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c1-7(8,9)3-5-2-6(11)10-4-5/h2H,3-4H2,1H3,(H,10,11).
What are the key properties of 3-(2,2-difluoropropyl)-1,2-dihydropyrrol-5-one?
3-(2,2-difluoropropyl)-1,2-dihydropyrrol-5-one has a molecular weight of 161.15 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 175892745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).