4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine

C18H11ClF4N2OS — CID 42846132

IUPAC4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
SMILESFc1ccccc1CSc1nc(Oc2ccccc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C18H11ClF4N2OS/c19-12-6-2-4-8-14(12)26-16-9-15(18(21,22)23)24-17(25-16)27-10-11-5-1-3-7-13(11)20/h1-9H,10H2
InChIKeyUZLFQFKDXFSQPR-UHFFFAOYSA-N
MW414.81 g/mol
LogP6.37
Rot. Bonds5

About 4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine

4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine (PubChem CID 42846132) has the molecular formula C18H11ClF4N2OS and a molecular weight of 414.81 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
PubChem CID42846132
Molecular FormulaC18H11ClF4N2OS
Molecular Weight414.81 g/mol
Exact Mass414.02
IUPAC Name4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
SMILESFc1ccccc1CSc1nc(Oc2ccccc2Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C18H11ClF4N2OS/c19-12-6-2-4-8-14(12)26-16-9-15(18(21,22)23)24-17(25-16)27-10-11-5-1-3-7-13(11)20/h1-9H,10H2
InChIKeyUZLFQFKDXFSQPR-UHFFFAOYSA-N
XLogP6.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.81
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenoxy)-2-[(3-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033809
4-(2-chlorophenoxy)-2-[(4-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033773
4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine
CID 46034013
4-(2,4-difluorophenoxy)-2-[(3-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033850
2-chloro-4-(2-fluorophenoxy)-6-(trifluoromethyl)pyrimidine
CID 114562029
4-(4-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 126390833
4-(3,4-dimethylphenoxy)-2-[(2-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033837
4-tert-butyl-6-(2-fluorophenoxy)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine
CID 46033702
4-(3-methoxyphenoxy)-2-[(2-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033825
4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 1478446
4-(1,3-benzodioxol-5-yloxy)-2-[(2-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033830
2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133311621

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine (CID 42846132) is 4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine is Fc1ccccc1CSc1nc(Oc2ccccc2Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is UZLFQFKDXFSQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF4N2OS/c19-12-6-2-4-8-14(12)26-16-9-15(18(21,22)23)24-17(25-16)27-10-11-5-1-3-7-13(11)20/h1-9H,10H2.
What are the key properties of 4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine?
4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 414.81 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-2-[(2-fluorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 42846132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).