6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one

C7H6ClF3N2O2 — CID 114582437

IUPAC6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCOC(F)(F)F
InChIInChI=1S/C7H6ClF3N2O2/c8-5-3-6(14)13(4-12-5)1-2-15-7(9,10)11/h3-4H,1-2H2
InChIKeyNFDSAGZRFSAAPW-UHFFFAOYSA-N
MW242.58 g/mol
LogP1.43
Rot. Bonds3

About 6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one

6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one (PubChem CID 114582437) has the molecular formula C7H6ClF3N2O2 and a molecular weight of 242.58 g/mol. Its IUPAC name is 6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
PubChem CID114582437
Molecular FormulaC7H6ClF3N2O2
Molecular Weight242.58 g/mol
Exact Mass242.01
IUPAC Name6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCOC(F)(F)F
InChIInChI=1S/C7H6ClF3N2O2/c8-5-3-6(14)13(4-12-5)1-2-15-7(9,10)11/h3-4H,1-2H2
InChIKeyNFDSAGZRFSAAPW-UHFFFAOYSA-N
XLogP1.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.58
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one (CID 114582437) is 6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one is O=c1cc(Cl)ncn1CCOC(F)(F)F.
What is the InChIKey of 6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The InChIKey is NFDSAGZRFSAAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O2/c8-5-3-6(14)13(4-12-5)1-2-15-7(9,10)11/h3-4H,1-2H2.
What are the key properties of 6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one has a molecular weight of 242.58 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114582437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).