1,1′-[2,2,2-Trifluoro-1-(Trifluoromethyl)Ethylidene]Bis[3,4-Dimethylbenzene]

CAS: 65294-20-4 | C19H18F6

Loading 3D structure...

CAS Registry Number: 65294-20-4

Molecular Formula: C19H18F6

Molecular Mass: 360.34 g/mol

1,1′-[2,2,2-Trifluoro-1-(Trifluoromethyl)Ethylidene]Bis[3,4-Dimethylbenzene]

Benzene, 1,1′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethyl-

1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene]

2,2-Bis(3,4-dimethylphenyl)hexafluoropropane

Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C

InChI=1S/C19H18F6/c1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	360.34 g/mol	CAS Common Chemistry
	360.341 g/mol	RDKit
	360.131269896 g/mol	RDKit
Canonical SMILES	FC(F)(F)C(C1=CC=C(C(=C1)C)C)(C2=CC=C(C(=C2)C)C)C(F)(F)F	CAS Common Chemistry
InChI	InChI=1S/C19H18F6/c1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3	CAS Common Chemistry
InChI Key	InChIKey=GLFKFHJEFMLTOB-UHFFFAOYSA-N	CAS Common Chemistry
Name	1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene]	CAS Common Chemistry
Heavy Atom Count	25	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	6.330980000000004	RDKit
Molar Refractivity	84.72200000000002	RDKit