6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one

C8H8F2N2O — CID 177328837

IUPAC6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(C2CC(F)(F)C2)[nH]1
InChIInChI=1S/C8H8F2N2O/c9-8(10)3-5(4-8)6-1-2-11-7(13)12-6/h1-2,5H,3-4H2,(H,11,12,13)
InChIKeyODUBSRZWALKAEE-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.28
Rot. Bonds1

About 6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one

6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one (PubChem CID 177328837) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one
PubChem CID177328837
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one
SMILESO=c1nccc(C2CC(F)(F)C2)[nH]1
InChIInChI=1S/C8H8F2N2O/c9-8(10)3-5(4-8)6-1-2-11-7(13)12-6/h1-2,5H,3-4H2,(H,11,12,13)
InChIKeyODUBSRZWALKAEE-UHFFFAOYSA-N
XLogP1.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one (CID 177328837) is 6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one is O=c1nccc(C2CC(F)(F)C2)[nH]1.
What is the InChIKey of 6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one?
The InChIKey is ODUBSRZWALKAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c9-8(10)3-5(4-8)6-1-2-11-7(13)12-6/h1-2,5H,3-4H2,(H,11,12,13).
What are the key properties of 6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one?
6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one has a molecular weight of 186.16 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluorocyclobutyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 177328837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).