5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine

C30H22F8N2 — CID 123619779

IUPAC5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine
SMILESCCCC(F)=C(F)c1ccc(-c2cnc(CCc3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)nc2)cc1
InChIInChI=1S/C30H22F8N2/c1-2-3-23(31)29(35)19-8-6-18(7-9-19)21-15-39-27(40-16-21)11-5-17-4-10-22(24(32)12-17)20-13-25(33)28(26(34)14-20)30(36,37)38/h4,6-10,12-16H,2-3,5,11H2,1H3
InChIKeyLMPNXPZTJWQOGY-UHFFFAOYSA-N
MW562.50 g/mol
LogP9.44
Rot. Bonds8

About 5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine

5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine (PubChem CID 123619779) has the molecular formula C30H22F8N2 and a molecular weight of 562.50 g/mol. Its IUPAC name is 5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine.

Molecular Properties

Compound Name5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine
PubChem CID123619779
Molecular FormulaC30H22F8N2
Molecular Weight562.50 g/mol
Exact Mass562.17
IUPAC Name5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine
SMILESCCCC(F)=C(F)c1ccc(-c2cnc(CCc3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)nc2)cc1
InChIInChI=1S/C30H22F8N2/c1-2-3-23(31)29(35)19-8-6-18(7-9-19)21-15-39-27(40-16-21)11-5-17-4-10-22(24(32)12-17)20-13-25(33)28(26(34)14-20)30(36,37)38/h4,6-10,12-16H,2-3,5,11H2,1H3
InChIKeyLMPNXPZTJWQOGY-UHFFFAOYSA-N
XLogP9.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.50
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(1,2-difluoropent-1-enyl)-2-fluorophenyl]-2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexyl]pyrimidine
CID 123331018
5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine
CID 19008485
2-but-3-enyl-5-[4-[2-[4-[4-(1,2-difluorohex-1-enyl)-2-fluorophenyl]-2-fluorophenyl]ethyl]-2-fluorophenyl]-1,3-difluorobenzene
CID 123708542
5-[2-[4-(1,2-difluoropent-1-enyl)phenyl]ethyl]-2-ethyl-1,3-difluorobenzene
CID 54166498
1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene
CID 88998789
5-[4-[1,2-difluoro-2-[4-(4-propylphenyl)phenyl]ethenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene
CID 123579060
5-[4-(1,2-difluorohex-1-enyl)-2-fluorophenyl]-2-[4-(3,5-difluoro-4-isothiocyanatophenyl)butyl]pyrimidine
CID 123369570
2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 58471577
2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine
CID 19765344
5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine
CID 19765754
2-[2-[6-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyrimidine
CID 139873515
4-butyl-1-[4-[(Z)-1,2-difluoro-2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethenyl]phenyl]-2-fluorobenzene
CID 139813436

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine?
The IUPAC name of 5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine (CID 123619779) is 5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine.
What is the SMILES notation for 5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine?
The canonical SMILES for 5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine is CCCC(F)=C(F)c1ccc(-c2cnc(CCc3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)nc2)cc1.
What is the InChIKey of 5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine?
The InChIKey is LMPNXPZTJWQOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F8N2/c1-2-3-23(31)29(35)19-8-6-18(7-9-19)21-15-39-27(40-16-21)11-5-17-4-10-22(24(32)12-17)20-13-25(33)28(26(34)14-20)30(36,37)38/h4,6-10,12-16H,2-3,5,11H2,1H3.
What are the key properties of 5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine?
5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine has a molecular weight of 562.50 g/mol, XLogP of 9.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,2-difluoropent-1-enyl)phenyl]-2-[2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]ethyl]pyrimidine is sourced from PubChem (CID 123619779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).