5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine

C11H6ClF3N2O — CID 88622023

IUPAC5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine
SMILESCc1c(Oc2ncc(Cl)cn2)cc(F)c(F)c1F
InChIInChI=1S/C11H6ClF3N2O/c1-5-8(2-7(13)10(15)9(5)14)18-11-16-3-6(12)4-17-11/h2-4H,1H3
InChIKeyZAMWCEGCUKMGFH-UHFFFAOYSA-N
MW274.63 g/mol
LogP3.65
Rot. Bonds2

About 5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine

5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine (PubChem CID 88622023) has the molecular formula C11H6ClF3N2O and a molecular weight of 274.63 g/mol. Its IUPAC name is 5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine
PubChem CID88622023
Molecular FormulaC11H6ClF3N2O
Molecular Weight274.63 g/mol
Exact Mass274.01
IUPAC Name5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine
SMILESCc1c(Oc2ncc(Cl)cn2)cc(F)c(F)c1F
InChIInChI=1S/C11H6ClF3N2O/c1-5-8(2-7(13)10(15)9(5)14)18-11-16-3-6(12)4-17-11/h2-4H,1H3
InChIKeyZAMWCEGCUKMGFH-UHFFFAOYSA-N
XLogP3.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.63
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine?
The IUPAC name of 5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine (CID 88622023) is 5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine.
What is the SMILES notation for 5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine?
The canonical SMILES for 5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine is Cc1c(Oc2ncc(Cl)cn2)cc(F)c(F)c1F.
What is the InChIKey of 5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine?
The InChIKey is ZAMWCEGCUKMGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O/c1-5-8(2-7(13)10(15)9(5)14)18-11-16-3-6(12)4-17-11/h2-4H,1H3.
What are the key properties of 5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine?
5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine has a molecular weight of 274.63 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4,5-trifluoro-2-methylphenoxy)pyrimidine is sourced from PubChem (CID 88622023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).