2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine

C28H20F7NO2 — CID 134222412

IUPAC2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine
SMILESCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(OCF)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C28H20F7NO2/c1-2-3-16-4-8-25(36-14-16)17-5-7-20(21(30)10-17)18-11-23(32)27(24(33)12-18)28(34,35)38-19-6-9-26(37-15-29)22(31)13-19/h4-14H,2-3,15H2,1H3
InChIKeyHXLNBYYQQKLOJB-UHFFFAOYSA-N
MW535.46 g/mol
LogP8.36
Rot. Bonds9

About 2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine

2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine (PubChem CID 134222412) has the molecular formula C28H20F7NO2 and a molecular weight of 535.46 g/mol. Its IUPAC name is 2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine.

Molecular Properties

Compound Name2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine
PubChem CID134222412
Molecular FormulaC28H20F7NO2
Molecular Weight535.46 g/mol
Exact Mass535.14
IUPAC Name2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine
SMILESCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(OCF)c(F)c4)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C28H20F7NO2/c1-2-3-16-4-8-25(36-14-16)17-5-7-20(21(30)10-17)18-11-23(32)27(24(33)12-18)28(34,35)38-19-6-9-26(37-15-29)22(31)13-19/h4-14H,2-3,15H2,1H3
InChIKeyHXLNBYYQQKLOJB-UHFFFAOYSA-N
XLogP8.36
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.46
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-but-3-enyl-2-[4-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]pyridine
CID 58383679
2-[difluoro-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 59329592
2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 58471577
2-[4-[4-[4-[(4-ethoxy-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine
CID 58383545
2-[4-[[4-[4-[4-(difluoromethyl)-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyrimidine
CID 58383467
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 134236074
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 159111708
2-[4-[4-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine
CID 58383638
2-(3-fluoro-4-methoxyphenyl)-5-propylpyridine
CID 21286189
2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-(4-pentylcyclohexyl)pyridine
CID 58383557
2-[[4-(3,4-difluorophenyl)-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 153438755
4-[4-[4-[[2,6-difluoro-4-(5-methyl-2-pyridinyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-fluorophenyl]-2,6-difluorophenol
CID 143980048

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine?
The IUPAC name of 2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine (CID 134222412) is 2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine.
What is the SMILES notation for 2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine?
The canonical SMILES for 2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine is CCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(OCF)c(F)c4)c(F)c3)c(F)c2)nc1.
What is the InChIKey of 2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine?
The InChIKey is HXLNBYYQQKLOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F7NO2/c1-2-3-16-4-8-25(36-14-16)17-5-7-20(21(30)10-17)18-11-23(32)27(24(33)12-18)28(34,35)38-19-6-9-26(37-15-29)22(31)13-19/h4-14H,2-3,15H2,1H3.
What are the key properties of 2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine?
2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine has a molecular weight of 535.46 g/mol, XLogP of 8.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine is sourced from PubChem (CID 134222412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).