2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene

C20H6F12O2 — CID 58738400

IUPAC2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene
SMILESFc1cc(F)c(-c2cc(F)c(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C20H6F12O2/c21-8-3-10(22)16(11(23)4-8)7-1-12(24)17(13(25)2-7)19(28,29)33-9-5-14(26)18(15(27)6-9)34-20(30,31)32/h1-6H
InChIKeySAWMBOWVACDKBE-UHFFFAOYSA-N
MW506.24 g/mol
LogP7.35
Rot. Bonds5

About 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene

2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene (PubChem CID 58738400) has the molecular formula C20H6F12O2 and a molecular weight of 506.24 g/mol. Its IUPAC name is 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene.

Molecular Properties

Compound Name2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene
PubChem CID58738400
Molecular FormulaC20H6F12O2
Molecular Weight506.24 g/mol
Exact Mass506.02
IUPAC Name2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene
SMILESFc1cc(F)c(-c2cc(F)c(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C20H6F12O2/c21-8-3-10(22)16(11(23)4-8)7-1-12(24)17(13(25)2-7)19(28,29)33-9-5-14(26)18(15(27)6-9)34-20(30,31)32/h1-6H
InChIKeySAWMBOWVACDKBE-UHFFFAOYSA-N
XLogP7.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.24
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-fluorophenyl)benzene
CID 58738459
2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene
CID 58738425
5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 58738373
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
2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[(E)-prop-1-enyl]benzene
CID 89308321
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-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
5-(2,4-difluorophenyl)-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 58738363
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-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trimethoxyphenyl)benzene
CID 89145241
2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
CID 134222331
4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]cyclohexane-1-carbaldehyde
CID 21057423

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene?
The IUPAC name of 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene (CID 58738400) is 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene.
What is the SMILES notation for 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene?
The canonical SMILES for 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene is Fc1cc(F)c(-c2cc(F)c(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)c(F)c1.
What is the InChIKey of 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene?
The InChIKey is SAWMBOWVACDKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H6F12O2/c21-8-3-10(22)16(11(23)4-8)7-1-12(24)17(13(25)2-7)19(28,29)33-9-5-14(26)18(15(27)6-9)34-20(30,31)32/h1-6H.
What are the key properties of 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene?
2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene has a molecular weight of 506.24 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene is sourced from PubChem (CID 58738400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).