2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one

C10H5F4NO — CID 59005733

IUPAC2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one
SMILESO=C1C(F)(F)C=C(c2ccccn2)C1(F)F
InChIInChI=1S/C10H5F4NO/c11-9(12)5-6(10(13,14)8(9)16)7-3-1-2-4-15-7/h1-5H
InChIKeyYJQZZAOXZYSTQD-UHFFFAOYSA-N
MW231.15 g/mol
LogP2.32
Rot. Bonds1

About 2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one

2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one (PubChem CID 59005733) has the molecular formula C10H5F4NO and a molecular weight of 231.15 g/mol. Its IUPAC name is 2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one.

Molecular Properties

Compound Name2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one
PubChem CID59005733
Molecular FormulaC10H5F4NO
Molecular Weight231.15 g/mol
Exact Mass231.03
IUPAC Name2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one
SMILESO=C1C(F)(F)C=C(c2ccccn2)C1(F)F
InChIInChI=1S/C10H5F4NO/c11-9(12)5-6(10(13,14)8(9)16)7-3-1-2-4-15-7/h1-5H
InChIKeyYJQZZAOXZYSTQD-UHFFFAOYSA-N
XLogP2.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one?
The IUPAC name of 2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one (CID 59005733) is 2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one.
What is the SMILES notation for 2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one?
The canonical SMILES for 2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one is O=C1C(F)(F)C=C(c2ccccn2)C1(F)F.
What is the InChIKey of 2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one?
The InChIKey is YJQZZAOXZYSTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4NO/c11-9(12)5-6(10(13,14)8(9)16)7-3-1-2-4-15-7/h1-5H.
What are the key properties of 2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one?
2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one has a molecular weight of 231.15 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetrafluoro-3-pyridin-2-ylcyclopent-3-en-1-one is sourced from PubChem (CID 59005733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).