4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine

C17H11Cl2FN2 — CID 88943268

IUPAC4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine
SMILESFCc1ccccc1-c1nc(Cl)cc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H11Cl2FN2/c18-14-8-4-3-7-13(14)15-9-16(19)22-17(21-15)12-6-2-1-5-11(12)10-20/h1-9H,10H2
InChIKeyAHHRTECJHUFKKD-UHFFFAOYSA-N
MW333.19 g/mol
LogP5.59
Rot. Bonds3

About 4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine

4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine (PubChem CID 88943268) has the molecular formula C17H11Cl2FN2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine
PubChem CID88943268
Molecular FormulaC17H11Cl2FN2
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine
SMILESFCc1ccccc1-c1nc(Cl)cc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H11Cl2FN2/c18-14-8-4-3-7-13(14)15-9-16(19)22-17(21-15)12-6-2-1-5-11(12)10-20/h1-9H,10H2
InChIKeyAHHRTECJHUFKKD-UHFFFAOYSA-N
XLogP5.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.19
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine (CID 88943268) is 4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine is FCc1ccccc1-c1nc(Cl)cc(-c2ccccc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine?
The InChIKey is AHHRTECJHUFKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN2/c18-14-8-4-3-7-13(14)15-9-16(19)22-17(21-15)12-6-2-1-5-11(12)10-20/h1-9H,10H2.
What are the key properties of 4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine?
4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine has a molecular weight of 333.19 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chlorophenyl)-2-[2-(fluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 88943268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).