6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione

C7H7ClF2N2O2 — CID 121208389

IUPAC6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(Cl)n(CC(F)F)c1=O
InChIInChI=1S/C7H7ClF2N2O2/c1-11-6(13)2-4(8)12(7(11)14)3-5(9)10/h2,5H,3H2,1H3
InChIKeyTVMZQJGQYANAMC-UHFFFAOYSA-N
MW224.59 g/mol
LogP0.47
Rot. Bonds2

About 6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione

6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione (PubChem CID 121208389) has the molecular formula C7H7ClF2N2O2 and a molecular weight of 224.59 g/mol. Its IUPAC name is 6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione
PubChem CID121208389
Molecular FormulaC7H7ClF2N2O2
Molecular Weight224.59 g/mol
Exact Mass224.02
IUPAC Name6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(Cl)n(CC(F)F)c1=O
InChIInChI=1S/C7H7ClF2N2O2/c1-11-6(13)2-4(8)12(7(11)14)3-5(9)10/h2,5H,3H2,1H3
InChIKeyTVMZQJGQYANAMC-UHFFFAOYSA-N
XLogP0.47
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.59
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione (CID 121208389) is 6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione is Cn1c(=O)cc(Cl)n(CC(F)F)c1=O.
What is the InChIKey of 6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is TVMZQJGQYANAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O2/c1-11-6(13)2-4(8)12(7(11)14)3-5(9)10/h2,5H,3H2,1H3.
What are the key properties of 6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione?
6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 224.59 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 121208389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).