4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol

C26H14F8O2 — CID 134241601

IUPAC4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol
SMILESOc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(C(F)(F)F)cc4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C26H14F8O2/c27-21-11-15(14-1-6-18(35)7-2-14)3-10-20(21)16-12-22(28)24(23(29)13-16)26(33,34)36-19-8-4-17(5-9-19)25(30,31)32/h1-13,35H
InChIKeyRYLBWSSXWIVRQT-UHFFFAOYSA-N
MW510.38 g/mol
LogP8.29
Rot. Bonds5

About 4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol

4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol (PubChem CID 134241601) has the molecular formula C26H14F8O2 and a molecular weight of 510.38 g/mol. Its IUPAC name is 4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol.

Molecular Properties

Compound Name4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol
PubChem CID134241601
Molecular FormulaC26H14F8O2
Molecular Weight510.38 g/mol
Exact Mass510.09
IUPAC Name4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol
SMILESOc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(C(F)(F)F)cc4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C26H14F8O2/c27-21-11-15(14-1-6-18(35)7-2-14)3-10-20(21)16-12-22(28)24(23(29)13-16)26(33,34)36-19-8-4-17(5-9-19)25(30,31)32/h1-13,35H
InChIKeyRYLBWSSXWIVRQT-UHFFFAOYSA-N
XLogP8.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.38
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
CID 58738407
4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-5-methoxybenzene-1,3-diol
CID 143005936
5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 58738372
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 134236074
1-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-2-fluoro-4-(4-methylphenyl)benzene;ethane
CID 145331542
5-[4-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-2-fluorophenyl]-2-fluorophenyl]-1,3-difluoro-2-methylbenzene
CID 145464102
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene;ethane
CID 144768956
[4-[[2,6-difluoro-4-(2-fluoro-4-phenylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane
CID 129130663
5-(2,4-difluorophenyl)-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 58738363
5-(4-butylphenyl)-2-[difluoro-[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenoxy]methyl]-1,3-difluorobenzene
CID 59328366
2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 175685533
2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene
CID 59329977

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol?
The IUPAC name of 4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol (CID 134241601) is 4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol.
What is the SMILES notation for 4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol?
The canonical SMILES for 4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol is Oc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(C(F)(F)F)cc4)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol?
The InChIKey is RYLBWSSXWIVRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F8O2/c27-21-11-15(14-1-6-18(35)7-2-14)3-10-20(21)16-12-22(28)24(23(29)13-16)26(33,34)36-19-8-4-17(5-9-19)25(30,31)32/h1-13,35H.
What are the key properties of 4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol?
4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol has a molecular weight of 510.38 g/mol, XLogP of 8.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol is sourced from PubChem (CID 134241601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).