4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine

C11H3ClF6N2 — CID 106768991

IUPAC4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine
SMILESFc1cc(F)c(-c2cc(Cl)nc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C11H3ClF6N2/c12-9-3-8(19-10(20-9)11(16,17)18)4-1-6(14)7(15)2-5(4)13/h1-3H
InChIKeyMLBNJSOBTXBWTO-UHFFFAOYSA-N
MW312.60 g/mol
LogP4.23
Rot. Bonds1

About 4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine

4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine (PubChem CID 106768991) has the molecular formula C11H3ClF6N2 and a molecular weight of 312.60 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine
PubChem CID106768991
Molecular FormulaC11H3ClF6N2
Molecular Weight312.60 g/mol
Exact Mass311.99
IUPAC Name4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine
SMILESFc1cc(F)c(-c2cc(Cl)nc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C11H3ClF6N2/c12-9-3-8(19-10(20-9)11(16,17)18)4-1-6(14)7(15)2-5(4)13/h1-3H
InChIKeyMLBNJSOBTXBWTO-UHFFFAOYSA-N
XLogP4.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-chloro-6-(2,4,5-trifluorophenyl)pyrimidine
CID 115503244
4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 106768869
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]isoquinoline
CID 106768905
4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine
CID 106768889
2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502930
4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768685
4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 102716845
4-chloro-6-(3,4-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768610
2-tert-butyl-4-chloro-6-(3,4,5-trifluorophenyl)pyrimidine
CID 80952369
2-tert-butyl-4-chloro-6-(2,5-dichlorophenyl)pyrimidine
CID 80953036
4-chloro-6-(3-methoxypyrazin-2-yl)-2-(trifluoromethyl)pyrimidine
CID 106769030
6-chloro-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767179

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine?
The IUPAC name of 4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine (CID 106768991) is 4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine is Fc1cc(F)c(-c2cc(Cl)nc(C(F)(F)F)n2)cc1F.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine?
The InChIKey is MLBNJSOBTXBWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3ClF6N2/c12-9-3-8(19-10(20-9)11(16,17)18)4-1-6(14)7(15)2-5(4)13/h1-3H.
What are the key properties of 4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine?
4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine has a molecular weight of 312.60 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)pyrimidine is sourced from PubChem (CID 106768991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).