1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene

C20F26 — CID 139900087

IUPAC1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene
SMILESFc1c(C(F)(F)F)c(C(F)(F)F)c(-c2c(C(F)(F)F)c(C(F)(F)F)c(F)c(C(F)(F)F)c2C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C20F26/c21-11-7(17(35,36)37)3(13(23,24)25)1(4(14(26,27)28)8(11)18(38,39)40)2-5(15(29,30)31)9(19(41,42)43)12(22)10(20(44,45)46)6(2)16(32,33)34
InChIKeyYTNDENPDIBJJIM-UHFFFAOYSA-N
MW734.17 g/mol
LogP11.78
Rot. Bonds1

About 1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene

1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene (PubChem CID 139900087) has the molecular formula C20F26 and a molecular weight of 734.17 g/mol. Its IUPAC name is 1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene
PubChem CID139900087
Molecular FormulaC20F26
Molecular Weight734.17 g/mol
Exact Mass733.96
IUPAC Name1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene
SMILESFc1c(C(F)(F)F)c(C(F)(F)F)c(-c2c(C(F)(F)F)c(C(F)(F)F)c(F)c(C(F)(F)F)c2C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C20F26/c21-11-7(17(35,36)37)3(13(23,24)25)1(4(14(26,27)28)8(11)18(38,39)40)2-5(15(29,30)31)9(19(41,42)43)12(22)10(20(44,45)46)6(2)16(32,33)34
InChIKeyYTNDENPDIBJJIM-UHFFFAOYSA-N
XLogP11.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.17
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene (CID 139900087) is 1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene is Fc1c(C(F)(F)F)c(C(F)(F)F)c(-c2c(C(F)(F)F)c(C(F)(F)F)c(F)c(C(F)(F)F)c2C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene?
The InChIKey is YTNDENPDIBJJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20F26/c21-11-7(17(35,36)37)3(13(23,24)25)1(4(14(26,27)28)8(11)18(38,39)40)2-5(15(29,30)31)9(19(41,42)43)12(22)10(20(44,45)46)6(2)16(32,33)34.
What are the key properties of 1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene?
1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene has a molecular weight of 734.17 g/mol, XLogP of 11.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-fluoro-2,3,5,6-tetrakis(trifluoromethyl)phenyl]-2,3,5,6-tetrakis(trifluoromethyl)benzene is sourced from PubChem (CID 139900087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).