2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene

C26H10F12O2 — CID 58738459

IUPAC2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C26H10F12O2/c27-14-3-1-11(2-4-14)12-5-16(28)22(17(29)6-12)13-7-18(30)23(19(31)8-13)25(34,35)39-15-9-20(32)24(21(33)10-15)40-26(36,37)38/h1-10H
InChIKeyGXGAHIGRNLKCAG-UHFFFAOYSA-N
MW582.34 g/mol
LogP9.02
Rot. Bonds6

About 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene

2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene (PubChem CID 58738459) has the molecular formula C26H10F12O2 and a molecular weight of 582.34 g/mol. Its IUPAC name is 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene
PubChem CID58738459
Molecular FormulaC26H10F12O2
Molecular Weight582.34 g/mol
Exact Mass582.05
IUPAC Name2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene
SMILESFc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C26H10F12O2/c27-14-3-1-11(2-4-14)12-5-16(28)22(17(29)6-12)13-7-18(30)23(19(31)8-13)25(34,35)39-15-9-20(32)24(21(33)10-15)40-26(36,37)38/h1-10H
InChIKeyGXGAHIGRNLKCAG-UHFFFAOYSA-N
XLogP9.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.34
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene
CID 58738400
5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 58738373
2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene
CID 58738425
2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-pentylphenyl)benzene
CID 59329628
5-but-3-enyl-2-[4-[[3-chloro-4-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluorophenyl]-5-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 87527992
2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
CID 134222331
5-bromo-2-[difluoro-(4-fluorophenoxy)methyl]-1,3-difluorobenzene;5-bromo-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene;5-bromo-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene;5-bromo-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-bromo-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene;5-bromo-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;5-[4-(2,4-difluorophenyl)-2-fluorophenyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(3-fluorophenyl)benzene;bis(2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene)
CID 158848957
2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 90293769
2-[[3,5-difluoro-4-(3,3,3-trifluoroprop-1-enoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 123260273
2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene
CID 89308321
2-[3-chloro-4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-fluorophenyl]-5-[[2,6-difluoro-4-(2-fluoro-4-pent-3-enylphenyl)phenyl]-difluoromethoxy]-1,3-difluorobenzene
CID 123456005
2-[[3,5-difluoro-4-(4-fluorophenyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 59329168

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene?
The IUPAC name of 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene (CID 58738459) is 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene.
What is the SMILES notation for 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene?
The canonical SMILES for 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene is Fc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene?
The InChIKey is GXGAHIGRNLKCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H10F12O2/c27-14-3-1-11(2-4-14)12-5-16(28)22(17(29)6-12)13-7-18(30)23(19(31)8-13)25(34,35)39-15-9-20(32)24(21(33)10-15)40-26(36,37)38/h1-10H.
What are the key properties of 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene?
2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene has a molecular weight of 582.34 g/mol, XLogP of 9.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene is sourced from PubChem (CID 58738459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).