3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one

C8H11F2NO — CID 153361498

IUPAC3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(CC(C)(F)F)=CC1=O
InChIInChI=1S/C8H11F2NO/c1-8(9,10)4-6-3-7(12)11(2)5-6/h3H,4-5H2,1-2H3
InChIKeyZVCBKRHYWXGNFZ-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.43
Rot. Bonds2

About 3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one

3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one (PubChem CID 153361498) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one
PubChem CID153361498
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(CC(C)(F)F)=CC1=O
InChIInChI=1S/C8H11F2NO/c1-8(9,10)4-6-3-7(12)11(2)5-6/h3H,4-5H2,1-2H3
InChIKeyZVCBKRHYWXGNFZ-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one (CID 153361498) is 3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one is CN1CC(CC(C)(F)F)=CC1=O.
What is the InChIKey of 3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one?
The InChIKey is ZVCBKRHYWXGNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-8(9,10)4-6-3-7(12)11(2)5-6/h3H,4-5H2,1-2H3.
What are the key properties of 3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one?
3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one has a molecular weight of 175.18 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropyl)-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 153361498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).