4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine

C11H6ClF3N2O — CID 43654761

IUPAC4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine
SMILESFC(F)(F)Oc1ccc(-c2nccc(Cl)n2)cc1
InChIInChI=1S/C11H6ClF3N2O/c12-9-5-6-16-10(17-9)7-1-3-8(4-2-7)18-11(13,14)15/h1-6H
InChIKeyCTLCNJMADWISQG-UHFFFAOYSA-N
MW274.63 g/mol
LogP3.70
Rot. Bonds2

About 4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine

4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine (PubChem CID 43654761) has the molecular formula C11H6ClF3N2O and a molecular weight of 274.63 g/mol. Its IUPAC name is 4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine
PubChem CID43654761
Molecular FormulaC11H6ClF3N2O
Molecular Weight274.63 g/mol
Exact Mass274.01
IUPAC Name4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine
SMILESFC(F)(F)Oc1ccc(-c2nccc(Cl)n2)cc1
InChIInChI=1S/C11H6ClF3N2O/c12-9-5-6-16-10(17-9)7-1-3-8(4-2-7)18-11(13,14)15/h1-6H
InChIKeyCTLCNJMADWISQG-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
The IUPAC name of 4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine (CID 43654761) is 4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
The canonical SMILES for 4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine is FC(F)(F)Oc1ccc(-c2nccc(Cl)n2)cc1.
What is the InChIKey of 4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
The InChIKey is CTLCNJMADWISQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O/c12-9-5-6-16-10(17-9)7-1-3-8(4-2-7)18-11(13,14)15/h1-6H.
What are the key properties of 4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine has a molecular weight of 274.63 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(trifluoromethoxy)phenyl]pyrimidine is sourced from PubChem (CID 43654761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).