5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one

C5H2Cl2F2N2O — CID 114583055

IUPAC5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1C(F)F
InChIInChI=1S/C5H2Cl2F2N2O/c6-2-3(7)10-1-11(4(2)12)5(8)9/h1,5H
InChIKeyFOCZAFUYFPWMLZ-UHFFFAOYSA-N
MW214.99 g/mol
LogP1.95
Rot. Bonds1

About 5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one

5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one (PubChem CID 114583055) has the molecular formula C5H2Cl2F2N2O and a molecular weight of 214.99 g/mol. Its IUPAC name is 5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one
PubChem CID114583055
Molecular FormulaC5H2Cl2F2N2O
Molecular Weight214.99 g/mol
Exact Mass213.95
IUPAC Name5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1C(F)F
InChIInChI=1S/C5H2Cl2F2N2O/c6-2-3(7)10-1-11(4(2)12)5(8)9/h1,5H
InChIKeyFOCZAFUYFPWMLZ-UHFFFAOYSA-N
XLogP1.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.99
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one (CID 114583055) is 5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1C(F)F.
What is the InChIKey of 5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one?
The InChIKey is FOCZAFUYFPWMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2F2N2O/c6-2-3(7)10-1-11(4(2)12)5(8)9/h1,5H.
What are the key properties of 5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one?
5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one has a molecular weight of 214.99 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(difluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 114583055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).