chempirical

4-(Heptafluoroisopropyl)toluene

C10H7F7CAS 2396-26-1260.15 g/mol

Open in Covalent MOL file
FFFFFFF
Alkyl halide

Properties

Molecular formula
C10H7F7
Molar mass
260.15 g/mol
Exact mass
260.0436 Da
logP
4.28Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2396-26-1
SMILES
CC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)F
InChIKey
XEFRSBQTXVJYKZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H7F7/c1-6-2-4-7(5-3-6)8(11,9(12,13)14)10(15,16)17/h2-5H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-(Heptafluoroisopropyl)toluene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bis(4-methylbenzene)1095-77-864 % similar 1-Methyl-4-(trifluoromethyl)benzene6140-17-656 % similar 2-Methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]benzenamine238098-26-548 % similar 4-tert-Butyltoluene98-51-146 % similar P-Xylene106-42-343 % similar 1-p-Tolylcyclopropanol40122-37-040 % similar 4-Trifluoromethoxytoluene706-27-440 % similar 4-Methyltrityl chloride23429-44-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook