2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine

C24H13F7N2 — CID 162556013

IUPAC2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine
SMILESCc1cnc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C24H13F7N2/c1-12-10-32-23(33-11-12)14-3-5-16(19(26)7-14)13-2-4-17(18(25)6-13)15-8-20(27)22(21(28)9-15)24(29,30)31/h2-11H,1H3
InChIKeyUQYLYWIUKDAYBZ-UHFFFAOYSA-N
MW462.37 g/mol
LogP7.36
Rot. Bonds3

About 2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine

2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine (PubChem CID 162556013) has the molecular formula C24H13F7N2 and a molecular weight of 462.37 g/mol. Its IUPAC name is 2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine
PubChem CID162556013
Molecular FormulaC24H13F7N2
Molecular Weight462.37 g/mol
Exact Mass462.10
IUPAC Name2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine
SMILESCc1cnc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C24H13F7N2/c1-12-10-32-23(33-11-12)14-3-5-16(19(26)7-14)13-2-4-17(18(25)6-13)15-8-20(27)22(21(28)9-15)24(29,30)31/h2-11H,1H3
InChIKeyUQYLYWIUKDAYBZ-UHFFFAOYSA-N
XLogP7.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.37
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-methylpyrimidine
CID 71024195
2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine;ethane
CID 143980133
1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane
CID 159994488
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 145464175
2-(3,4-difluorophenyl)-5-methylpyrimidine
CID 14365247
1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene
CID 21026844
5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene
CID 150640435
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine
CID 141385029
2-[4-(3,5-difluoro-4-methylphenyl)-3-fluorophenyl]-5-propylpyrimidine
CID 20708826
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
4-[4-[4-[[2,6-difluoro-4-(5-methyl-2-pyridinyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-fluorophenyl]-2,6-difluorophenol
CID 143980048
2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-methylpyridine
CID 90210819

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine?
The IUPAC name of 2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine (CID 162556013) is 2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine.
What is the SMILES notation for 2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine?
The canonical SMILES for 2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine is Cc1cnc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.
What is the InChIKey of 2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine?
The InChIKey is UQYLYWIUKDAYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F7N2/c1-12-10-32-23(33-11-12)14-3-5-16(19(26)7-14)13-2-4-17(18(25)6-13)15-8-20(27)22(21(28)9-15)24(29,30)31/h2-11H,1H3.
What are the key properties of 2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine?
2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine has a molecular weight of 462.37 g/mol, XLogP of 7.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine is sourced from PubChem (CID 162556013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).