1H,1H,2H,2H-Perfluorodecyldimethylchlorosilane

C₁₂H₁₀ClF₁₇SiCAS 74612-30-9540.72 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₁₂H₁₀ClF₁₇Si
Molar mass: 540.72 g/mol
Exact mass: 539.9969 Da
logP: 7.83Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 9

Hazards

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

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Identifiers

CAS number

74612-30-9

SMILES

C[Si](C)(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl

InChIKey

JHCJWHBMXWOYDE-UHFFFAOYSA-N

InChI

InChI=1S/C12H10ClF17Si/c1-31(2,13)4-3-5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)30/h3-4H2,1-2H3

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 2.10 (tt, J = 7.0 Hz, J(H,F) = 9.0 Hz, 2H), 0.50 (t, J = 7.0 Hz, 2H), 0.00 (s, 6H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 125.5 (qtt, J(C,F) = 272.0, 29.0, 3.0 Hz), 120.0 (ttt, J(C,F) = 240.0, 29.0, 3.0 Hz), 120.0 (m, J(C,F) = 240.0, 29.0, 3.0 Hz), 120.0 (m, J(C,F) = 240.0, 29.0, 3.0 Hz), 120.0 (m, J(C,F) = 240.0, 29.0, 3.0 Hz), 120.0 (m, J(C,F) = 240.0, 29.0, 3.0 Hz), 120.0 (m, J(C,F) = 240.0, 29.0, 3.0 Hz), 120.0 (m, J(C,F) = 240.0, 29.0, 3.0 Hz), 19.9 (tt, J(C,F) = 29.0, 3.0 Hz), 2.7 (t, J(C,F) = 3.0 Hz), 0.0.

[M + H]+

[M + H]+ Calcd for C12H11ClF17Si 541.0042

[M + Na]+

[M + Na]+ Calcd for C12H10ClF17NaSi 562.9861

[M − H]−

[M − H]− Calcd for C12H9ClF17Si 538.9896

Elemental analysis

Anal. Calcd for C12H10ClF17Si: C, 26.66; H, 1.86.