2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine

C11H5ClF4N2 — CID 57468667

IUPAC2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
SMILESFc1ccc(-c2cc(C(F)(F)F)nc(Cl)n2)cc1
InChIInChI=1S/C11H5ClF4N2/c12-10-17-8(5-9(18-10)11(14,15)16)6-1-3-7(13)4-2-6/h1-5H
InChIKeyNNYBUYJFCKCZGQ-UHFFFAOYSA-N
MW276.62 g/mol
LogP3.95
Rot. Bonds1

About 2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine

2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine (PubChem CID 57468667) has the molecular formula C11H5ClF4N2 and a molecular weight of 276.62 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
PubChem CID57468667
Molecular FormulaC11H5ClF4N2
Molecular Weight276.62 g/mol
Exact Mass276.01
IUPAC Name2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
SMILESFc1ccc(-c2cc(C(F)(F)F)nc(Cl)n2)cc1
InChIInChI=1S/C11H5ClF4N2/c12-10-17-8(5-9(18-10)11(14,15)16)6-1-3-7(13)4-2-6/h1-5H
InChIKeyNNYBUYJFCKCZGQ-UHFFFAOYSA-N
XLogP3.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.62
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine (CID 57468667) is 2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine is Fc1ccc(-c2cc(C(F)(F)F)nc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is NNYBUYJFCKCZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF4N2/c12-10-17-8(5-9(18-10)11(14,15)16)6-1-3-7(13)4-2-6/h1-5H.
What are the key properties of 2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 276.62 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 57468667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).