1H,1H,2H,2H-Perfluorodecylmethyldichlorosilane

C₁₁H₇Cl₂F₁₇SiCAS 3102-79-2561.13 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₁₁H₇Cl₂F₁₇Si
Molar mass: 561.13 g/mol
Exact mass: 559.9423 Da
logP: 7.94Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 9

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

3102-79-2

SMILES

C[Si](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)Cl

InChIKey

PVBMWIXRKLGXPI-UHFFFAOYSA-N

InChI

InChI=1S/C11H7Cl2F17Si/c1-31(12,13)3-2-4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h2-3H2,1H3

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, 3H).

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 C11H8Cl2F17Si 560.9495

[M + Na]+

[M + Na]+ Calcd for C11H7Cl2F17NaSi 582.9315

[M − H]−

[M − H]− Calcd for C11H6Cl2F17Si 558.9350

Elemental analysis

Anal. Calcd for C11H7Cl2F17Si: C, 23.55; H, 1.26.