4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine

C23H13F5N2O — CID 90750927

IUPAC4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3cccc(OC(F)(F)F)c3)n2)cc1
InChIInChI=1S/C23H13F5N2O/c24-17-8-4-14(5-9-17)20-13-21(15-6-10-18(25)11-7-15)30-22(29-20)16-2-1-3-19(12-16)31-23(26,27)28/h1-13H
InChIKeyZTMPVOLMFYWZHD-UHFFFAOYSA-N
MW428.36 g/mol
LogP6.65
Rot. Bonds4

About 4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine

4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine (PubChem CID 90750927) has the molecular formula C23H13F5N2O and a molecular weight of 428.36 g/mol. Its IUPAC name is 4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine
PubChem CID90750927
Molecular FormulaC23H13F5N2O
Molecular Weight428.36 g/mol
Exact Mass428.09
IUPAC Name4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3cccc(OC(F)(F)F)c3)n2)cc1
InChIInChI=1S/C23H13F5N2O/c24-17-8-4-14(5-9-17)20-13-21(15-6-10-18(25)11-7-15)30-22(29-20)16-2-1-3-19(12-16)31-23(26,27)28/h1-13H
InChIKeyZTMPVOLMFYWZHD-UHFFFAOYSA-N
XLogP6.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 107105171
4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118799410
4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide
CID 58154602
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266
5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
CID 79018315
3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 133089391
2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine
CID 166176460
5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 107105178
2-[3-[3-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]aniline
CID 71694720
4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 134628195
[2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-4-pyridinyl]boronic acid
CID 87406203

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine?
The IUPAC name of 4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine (CID 90750927) is 4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine.
What is the SMILES notation for 4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine?
The canonical SMILES for 4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine is Fc1ccc(-c2cc(-c3ccc(F)cc3)nc(-c3cccc(OC(F)(F)F)c3)n2)cc1.
What is the InChIKey of 4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine?
The InChIKey is ZTMPVOLMFYWZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F5N2O/c24-17-8-4-14(5-9-17)20-13-21(15-6-10-18(25)11-7-15)30-22(29-20)16-2-1-3-19(12-16)31-23(26,27)28/h1-13H.
What are the key properties of 4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine?
4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine has a molecular weight of 428.36 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine is sourced from PubChem (CID 90750927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).