2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine

C15H8Cl3F3N4O — CID 162220727

IUPAC2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine
SMILESClc1ccnc(Cl)n1.FC(F)(F)c1ccc(Oc2ccnc(Cl)n2)cc1
InChIInChI=1S/C11H6ClF3N2O.C4H2Cl2N2/c12-10-16-6-5-9(17-10)18-8-3-1-7(2-4-8)11(13,14)15;5-3-1-2-7-4(6)8-3/h1-6H;1-2H
InChIKeyZUBVVBAQALLMSN-UHFFFAOYSA-N
MW423.61 g/mol
LogP5.72
Rot. Bonds2

About 2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine

2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine (PubChem CID 162220727) has the molecular formula C15H8Cl3F3N4O and a molecular weight of 423.61 g/mol. Its IUPAC name is 2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine.

Molecular Properties

Compound Name2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine
PubChem CID162220727
Molecular FormulaC15H8Cl3F3N4O
Molecular Weight423.61 g/mol
Exact Mass421.97
IUPAC Name2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine
SMILESClc1ccnc(Cl)n1.FC(F)(F)c1ccc(Oc2ccnc(Cl)n2)cc1
InChIInChI=1S/C11H6ClF3N2O.C4H2Cl2N2/c12-10-16-6-5-9(17-10)18-8-3-1-7(2-4-8)11(13,14)15;5-3-1-2-7-4(6)8-3/h1-6H;1-2H
InChIKeyZUBVVBAQALLMSN-UHFFFAOYSA-N
XLogP5.72
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.61
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(4-chlorophenoxy)pyrimidine;2,4-dichloropyrimidine
CID 159574787
4-(4-tert-butylphenoxy)-2-chloropyrimidine
CID 55065851
2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine
CID 140995544
2-chloro-4-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 62476947
3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 29080706
2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine
CID 60726000
2,4-dichloropyrimidine;hydrochloride
CID 75485240
1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine
CID 62287891
2-chloro-4-(4-methylsulfonylphenoxy)pyrimidine
CID 53486073
1-chloro-8-[4-(trifluoromethyl)phenoxy]isoquinoline
CID 125474197
2-chloro-4-(3-fluorophenoxy)pyrimidine
CID 53486075
2-chloro-4-methoxy-6-[4-(trifluoromethyl)phenoxy]-1,3,5-triazine
CID 62857484

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine?
The IUPAC name of 2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine (CID 162220727) is 2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine.
What is the SMILES notation for 2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine?
The canonical SMILES for 2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine is Clc1ccnc(Cl)n1.FC(F)(F)c1ccc(Oc2ccnc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine?
The InChIKey is ZUBVVBAQALLMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O.C4H2Cl2N2/c12-10-16-6-5-9(17-10)18-8-3-1-7(2-4-8)11(13,14)15;5-3-1-2-7-4(6)8-3/h1-6H;1-2H.
What are the key properties of 2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine?
2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine has a molecular weight of 423.61 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine is sourced from PubChem (CID 162220727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).