5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one

C7H5Cl2F3N2O2 — CID 114583292

IUPAC5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCOC(F)(F)F
InChIInChI=1S/C7H5Cl2F3N2O2/c8-4-5(9)13-3-14(6(4)15)1-2-16-7(10,11)12/h3H,1-2H2
InChIKeyRPDHYEFZYTXEIM-UHFFFAOYSA-N
MW277.03 g/mol
LogP2.09
Rot. Bonds3

About 5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one

5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one (PubChem CID 114583292) has the molecular formula C7H5Cl2F3N2O2 and a molecular weight of 277.03 g/mol. Its IUPAC name is 5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
PubChem CID114583292
Molecular FormulaC7H5Cl2F3N2O2
Molecular Weight277.03 g/mol
Exact Mass275.97
IUPAC Name5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCOC(F)(F)F
InChIInChI=1S/C7H5Cl2F3N2O2/c8-4-5(9)13-3-14(6(4)15)1-2-16-7(10,11)12/h3H,1-2H2
InChIKeyRPDHYEFZYTXEIM-UHFFFAOYSA-N
XLogP2.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.03
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dichloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 106705729
5,6-Dichloro-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 113604310
6-Chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114582422
6-Chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114582437
5,6-Dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912
5,6-Dichloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114582924
5,6-Dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114583076
5,6-Dichloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114583273
5-Bromo-6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114583720
6-Chloro-5-iodo-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114584133
6-Chloro-5-iodo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114584150
5,6-Dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182134

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one (CID 114583292) is 5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CCOC(F)(F)F.
What is the InChIKey of 5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The InChIKey is RPDHYEFZYTXEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F3N2O2/c8-4-5(9)13-3-14(6(4)15)1-2-16-7(10,11)12/h3H,1-2H2.
What are the key properties of 5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one has a molecular weight of 277.03 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114583292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).