2-(3,3-difluoropropyl)-1H-pyrazol-3-one

C6H8F2N2O — CID 84651321

IUPAC2-(3,3-difluoropropyl)-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1CCC(F)F
InChIInChI=1S/C6H8F2N2O/c7-5(8)2-4-10-6(11)1-3-9-10/h1,3,5,9H,2,4H2
InChIKeyYWLZOYDUUHUPDW-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.83
Rot. Bonds3

About 2-(3,3-difluoropropyl)-1H-pyrazol-3-one

2-(3,3-difluoropropyl)-1H-pyrazol-3-one (PubChem CID 84651321) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-(3,3-difluoropropyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3,3-difluoropropyl)-1H-pyrazol-3-one
PubChem CID84651321
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name2-(3,3-difluoropropyl)-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1CCC(F)F
InChIInChI=1S/C6H8F2N2O/c7-5(8)2-4-10-6(11)1-3-9-10/h1,3,5,9H,2,4H2
InChIKeyYWLZOYDUUHUPDW-UHFFFAOYSA-N
XLogP0.83
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropropyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(3,3-difluoropropyl)-1H-pyrazol-3-one (CID 84651321) is 2-(3,3-difluoropropyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3,3-difluoropropyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(3,3-difluoropropyl)-1H-pyrazol-3-one is O=c1cc[nH]n1CCC(F)F.
What is the InChIKey of 2-(3,3-difluoropropyl)-1H-pyrazol-3-one?
The InChIKey is YWLZOYDUUHUPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c7-5(8)2-4-10-6(11)1-3-9-10/h1,3,5,9H,2,4H2.
What are the key properties of 2-(3,3-difluoropropyl)-1H-pyrazol-3-one?
2-(3,3-difluoropropyl)-1H-pyrazol-3-one has a molecular weight of 162.14 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropropyl)-1H-pyrazol-3-one is sourced from PubChem (CID 84651321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).