2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine

C32H18F9NO2 — CID 143980156

IUPAC2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine
SMILESCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc(-c5ccc(OC(F)(F)F)c(F)c5)c(F)c4)cc3)c(F)c2)nc1
InChIInChI=1S/C32H18F9NO2/c1-17-2-10-28(42-16-17)21-14-26(35)30(27(36)15-21)31(37,38)43-22-7-3-18(4-8-22)19-5-9-23(24(33)12-19)20-6-11-29(25(34)13-20)44-32(39,40)41/h2-16H,1H3
InChIKeyMNTZMQWPELOSJW-UHFFFAOYSA-N
MW619.48 g/mol
LogP9.97
Rot. Bonds7

About 2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine

2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine (PubChem CID 143980156) has the molecular formula C32H18F9NO2 and a molecular weight of 619.48 g/mol. Its IUPAC name is 2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine
PubChem CID143980156
Molecular FormulaC32H18F9NO2
Molecular Weight619.48 g/mol
Exact Mass619.12
IUPAC Name2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine
SMILESCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc(-c5ccc(OC(F)(F)F)c(F)c5)c(F)c4)cc3)c(F)c2)nc1
InChIInChI=1S/C32H18F9NO2/c1-17-2-10-28(42-16-17)21-14-26(35)30(27(36)15-21)31(37,38)43-22-7-3-18(4-8-22)19-5-9-23(24(33)12-19)20-6-11-29(25(34)13-20)44-32(39,40)41/h2-16H,1H3
InChIKeyMNTZMQWPELOSJW-UHFFFAOYSA-N
XLogP9.97
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.48
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-methylpyridine
CID 58090397
2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine
CID 145497031
5-(4-butylphenyl)-2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-1,3-difluorobenzene
CID 59328758
5-(4-butoxyphenyl)-2-[difluoro-[3-fluoro-4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-1,3-difluorobenzene
CID 59328856
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-[difluoro-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]benzene
CID 59328486
2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-(4-pentylcyclohexyl)pyridine
CID 58383557
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 134236074
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
2-[4-[4-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propylpyridine
CID 134222412

Frequently Asked Questions

What is the IUPAC name of 2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine?
The IUPAC name of 2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine (CID 143980156) is 2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine.
What is the SMILES notation for 2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine?
The canonical SMILES for 2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine is Cc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc(-c5ccc(OC(F)(F)F)c(F)c5)c(F)c4)cc3)c(F)c2)nc1.
What is the InChIKey of 2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine?
The InChIKey is MNTZMQWPELOSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F9NO2/c1-17-2-10-28(42-16-17)21-14-26(35)30(27(36)15-21)31(37,38)43-22-7-3-18(4-8-22)19-5-9-23(24(33)12-19)20-6-11-29(25(34)13-20)44-32(39,40)41/h2-16H,1H3.
What are the key properties of 2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine?
2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine has a molecular weight of 619.48 g/mol, XLogP of 9.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine is sourced from PubChem (CID 143980156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).