2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine

C24H16ClF3N2 — CID 20708859

IUPAC2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine
SMILESCCc1ccc(-c2ccc(-c3cnc(-c4ccc(Cl)c(F)c4)nc3)c(F)c2)c(F)c1
InChIInChI=1S/C24H16ClF3N2/c1-2-14-3-6-18(21(26)9-14)15-4-7-19(22(27)10-15)17-12-29-24(30-13-17)16-5-8-20(25)23(28)11-16/h3-13H,2H2,1H3
InChIKeyNACOPFNWLYOEKX-UHFFFAOYSA-N
MW424.85 g/mol
LogP7.11
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine

2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine (PubChem CID 20708859) has the molecular formula C24H16ClF3N2 and a molecular weight of 424.85 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine
PubChem CID20708859
Molecular FormulaC24H16ClF3N2
Molecular Weight424.85 g/mol
Exact Mass424.10
IUPAC Name2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine
SMILESCCc1ccc(-c2ccc(-c3cnc(-c4ccc(Cl)c(F)c4)nc3)c(F)c2)c(F)c1
InChIInChI=1S/C24H16ClF3N2/c1-2-14-3-6-18(21(26)9-14)15-4-7-19(22(27)10-15)17-12-29-24(30-13-17)16-5-8-20(25)23(28)11-16/h3-13H,2H2,1H3
InChIKeyNACOPFNWLYOEKX-UHFFFAOYSA-N
XLogP7.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.85
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 23179827
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene
CID 139883517
6-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139846760
1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
CID 169027138
2-[3-fluoro-4-(4-heptylphenyl)phenyl]-5-pentylpyrimidine
CID 21270878
2-[3-fluoro-4-(4-pentylphenyl)phenyl]-5-hexylpyrimidine
CID 21271029
[4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane
CID 170132292
6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene
CID 139846935
2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine
CID 20708826

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine (CID 20708859) is 2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine is CCc1ccc(-c2ccc(-c3cnc(-c4ccc(Cl)c(F)c4)nc3)c(F)c2)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine?
The InChIKey is NACOPFNWLYOEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N2/c1-2-14-3-6-18(21(26)9-14)15-4-7-19(22(27)10-15)17-12-29-24(30-13-17)16-5-8-20(25)23(28)11-16/h3-13H,2H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine?
2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine has a molecular weight of 424.85 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-5-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]pyrimidine is sourced from PubChem (CID 20708859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).