1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene

C26H18F12 — CID 11318939

IUPAC1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene
SMILESCc1c(C)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c(C)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H18F12/c1-11-12(2)22(16-7-19(25(33,34)35)10-20(8-16)26(36,37)38)14(4)13(3)21(11)15-5-17(23(27,28)29)9-18(6-15)24(30,31)32/h5-10H,1-4H3
InChIKeyBWHMOFDJYHFTQQ-UHFFFAOYSA-N
MW558.41 g/mol
LogP10.33
Rot. Bonds2

About 1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene

1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene (PubChem CID 11318939) has the molecular formula C26H18F12 and a molecular weight of 558.41 g/mol. Its IUPAC name is 1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene
PubChem CID11318939
Molecular FormulaC26H18F12
Molecular Weight558.41 g/mol
Exact Mass558.12
IUPAC Name1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene
SMILESCc1c(C)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c(C)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C26H18F12/c1-11-12(2)22(16-7-19(25(33,34)35)10-20(8-16)26(36,37)38)14(4)13(3)21(11)15-5-17(23(27,28)29)9-18(6-15)24(30,31)32/h5-10H,1-4H3
InChIKeyBWHMOFDJYHFTQQ-UHFFFAOYSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.41
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene?
The IUPAC name of 1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene (CID 11318939) is 1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene.
What is the SMILES notation for 1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene?
The canonical SMILES for 1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene is Cc1c(C)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c(C)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene?
The InChIKey is BWHMOFDJYHFTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F12/c1-11-12(2)22(16-7-19(25(33,34)35)10-20(8-16)26(36,37)38)14(4)13(3)21(11)15-5-17(23(27,28)29)9-18(6-15)24(30,31)32/h5-10H,1-4H3.
What are the key properties of 1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene?
1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene has a molecular weight of 558.41 g/mol, XLogP of 10.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene is sourced from PubChem (CID 11318939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).