2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine

C5Cl3F3N2O — CID 153338691

IUPAC2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine
SMILESFC(F)(F)Oc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C5Cl3F3N2O/c6-2-1(14-5(9,10)11)3(7)13-4(8)12-2
InChIKeyCZBOBBBNRNBKED-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.34
Rot. Bonds1

About 2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine

2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine (PubChem CID 153338691) has the molecular formula C5Cl3F3N2O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine.

Molecular Properties

Compound Name2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine
PubChem CID153338691
Molecular FormulaC5Cl3F3N2O
Molecular Weight267.42 g/mol
Exact Mass265.90
IUPAC Name2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine
SMILESFC(F)(F)Oc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C5Cl3F3N2O/c6-2-1(14-5(9,10)11)3(7)13-4(8)12-2
InChIKeyCZBOBBBNRNBKED-UHFFFAOYSA-N
XLogP3.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine?
The IUPAC name of 2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine (CID 153338691) is 2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine.
What is the SMILES notation for 2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine?
The canonical SMILES for 2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine is FC(F)(F)Oc1c(Cl)nc(Cl)nc1Cl.
What is the InChIKey of 2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine?
The InChIKey is CZBOBBBNRNBKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl3F3N2O/c6-2-1(14-5(9,10)11)3(7)13-4(8)12-2.
What are the key properties of 2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine?
2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine has a molecular weight of 267.42 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-5-(trifluoromethoxy)pyrimidine is sourced from PubChem (CID 153338691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).