4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne

C114H97F121O26 — CID 163701748

IUPAC4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne
SMILESC#CC#CC.CC(C)(C)C1(F)OC(C)(C(C)(F)F)OC1(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CC(F)(F)C1(C)OC(C)(C)C(C(F)(F)F)(C(F)(F)F)O1.CC(F)(F)C1(C)OC(C)(F)C(F)(C(F)(F)F)O1.CC(F)(F)C1(C)OC(C)(F)C(F)(C(F)(F)OC(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(F)C(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(F)O1.CC(F)(F)C1(C)OC2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)O1.CC(F)(F)C1(C)OC2(F)C(F)(F)OC(F)(F)C2(F)O1
InChIInChI=1S/C14H15F13O2.2C10H6F14O2.C10H6F12O2.C10H12F8O2.C9H6F12O2.C9H9F9O3.C8H6F10O2.C8H6F8O3.C8H9F7O2.C7H6F8O2.C6H6F6O2.C5H4/c1-6(2,3)10(17)11(18,29-8(5,28-10)7(4,15)16)9(12(19,20)21,13(22,23)24)14(25,26)27;1-3(11,12)4(2)25-8(19,10(23,24)26-4)6(15,16)5(13,14)7(17,18)9(20,21)22;1-3(11,12)4(2)25-6(13,10(23,24)26-4)5(7(14,15)16,8(17,18)19)9(20,21)22;1-3(11,12)4(2)23-9(21)7(17,18)5(13,14)6(15,16)8(19,20)10(9,22)24-4;1-5(2)8(9(13,14)15,10(16,17)18)20-7(4,19-5)6(3,11)12;1-3(10,11)4(2)22-6(13,9(20,21)23-4)5(12,7(14,15)16)8(17,18)19;1-4(10,11)6(3)19-5(2,12)7(13,20-6)8(14,15)21-9(16,17)18;1-3(9,10)4(2)19-6(13,8(17,18)20-4)5(11,12)7(14,15)16;1-3(9,10)4(2)17-5(11)6(12,18-4)8(15,16)19-7(5,13)14;1-4(9,10)6(3)16-5(2,11)7(12,17-6)8(13,14)15;1-3(8,9)4(2)16-5(10,6(11,12)13)7(14,15)17-4;1-3(7,8)4(2)13-5(9,10)6(11,12)14-4;1-3-5-4-2/h1-5H3;2*1-2H3;1-2H3;1-4H3;1-2H3;1-3H3;1-2H3;1-2H3;1-3H3;1-2H3;1-2H3;1H,2H3
InChIKeyKBPKWQGSHBFGIC-UHFFFAOYSA-N
MW4181.76 g/mol
LogP50.81
Rot. Bonds21

About 4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne

4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne (PubChem CID 163701748) has the molecular formula C114H97F121O26 and a molecular weight of 4181.76 g/mol. Its IUPAC name is 4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne.

Molecular Properties

Compound Name4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne
PubChem CID163701748
Molecular FormulaC114H97F121O26
Molecular Weight4181.76 g/mol
Exact Mass4180.43
IUPAC Name4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne
SMILESC#CC#CC.CC(C)(C)C1(F)OC(C)(C(C)(F)F)OC1(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CC(F)(F)C1(C)OC(C)(C)C(C(F)(F)F)(C(F)(F)F)O1.CC(F)(F)C1(C)OC(C)(F)C(F)(C(F)(F)F)O1.CC(F)(F)C1(C)OC(C)(F)C(F)(C(F)(F)OC(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(F)C(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(F)O1.CC(F)(F)C1(C)OC2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)O1.CC(F)(F)C1(C)OC2(F)C(F)(F)OC(F)(F)C2(F)O1
InChIInChI=1S/C14H15F13O2.2C10H6F14O2.C10H6F12O2.C10H12F8O2.C9H6F12O2.C9H9F9O3.C8H6F10O2.C8H6F8O3.C8H9F7O2.C7H6F8O2.C6H6F6O2.C5H4/c1-6(2,3)10(17)11(18,29-8(5,28-10)7(4,15)16)9(12(19,20)21,13(22,23)24)14(25,26)27;1-3(11,12)4(2)25-8(19,10(23,24)26-4)6(15,16)5(13,14)7(17,18)9(20,21)22;1-3(11,12)4(2)25-6(13,10(23,24)26-4)5(7(14,15)16,8(17,18)19)9(20,21)22;1-3(11,12)4(2)23-9(21)7(17,18)5(13,14)6(15,16)8(19,20)10(9,22)24-4;1-5(2)8(9(13,14)15,10(16,17)18)20-7(4,19-5)6(3,11)12;1-3(10,11)4(2)22-6(13,9(20,21)23-4)5(12,7(14,15)16)8(17,18)19;1-4(10,11)6(3)19-5(2,12)7(13,20-6)8(14,15)21-9(16,17)18;1-3(9,10)4(2)19-6(13,8(17,18)20-4)5(11,12)7(14,15)16;1-3(9,10)4(2)17-5(11)6(12,18-4)8(15,16)19-7(5,13)14;1-4(9,10)6(3)16-5(2,11)7(12,17-6)8(13,14)15;1-3(8,9)4(2)16-5(10,6(11,12)13)7(14,15)17-4;1-3(7,8)4(2)13-5(9,10)6(11,12)14-4;1-3-5-4-2/h1-5H3;2*1-2H3;1-2H3;1-4H3;1-2H3;1-3H3;1-2H3;1-2H3;1-3H3;1-2H3;1-2H3;1H,2H3
InChIKeyKBPKWQGSHBFGIC-UHFFFAOYSA-N
XLogP50.81
TPSA239.98 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004181.76
LogP ≤ 550.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne with MolForge

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What is the IUPAC name of 4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne?
The IUPAC name of 4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne (CID 163701748) is 4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne.
What is the SMILES notation for 4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne?
The canonical SMILES for 4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne is C#CC#CC.CC(C)(C)C1(F)OC(C)(C(C)(F)F)OC1(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.CC(F)(F)C1(C)OC(C)(C)C(C(F)(F)F)(C(F)(F)F)O1.CC(F)(F)C1(C)OC(C)(F)C(F)(C(F)(F)F)O1.CC(F)(F)C1(C)OC(C)(F)C(F)(C(F)(F)OC(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(F)C(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(C(F)(F)F)O1.CC(F)(F)C1(C)OC(F)(F)C(F)(F)O1.CC(F)(F)C1(C)OC2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)O1.CC(F)(F)C1(C)OC2(F)C(F)(F)OC(F)(F)C2(F)O1.
What is the InChIKey of 4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne?
The InChIKey is KBPKWQGSHBFGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F13O2.2C10H6F14O2.C10H6F12O2.C10H12F8O2.C9H6F12O2.C9H9F9O3.C8H6F10O2.C8H6F8O3.C8H9F7O2.C7H6F8O2.C6H6F6O2.C5H4/c1-6(2,3)10(17)11(18,29-8(5,28-10)7(4,15)16)9(12(19,20)21,13(22,23)24)14(25,26)27;1-3(11,12)4(2)25-8(19,10(23,24)26-4)6(15,16)5(13,14)7(17,18)9(20,21)22;1-3(11,12)4(2)25-6(13,10(23,24)26-4)5(7(14,15)16,8(17,18)19)9(20,21)22;1-3(11,12)4(2)23-9(21)7(17,18)5(13,14)6(15,16)8(19,20)10(9,22)24-4;1-5(2)8(9(13,14)15,10(16,17)18)20-7(4,19-5)6(3,11)12;1-3(10,11)4(2)22-6(13,9(20,21)23-4)5(12,7(14,15)16)8(17,18)19;1-4(10,11)6(3)19-5(2,12)7(13,20-6)8(14,15)21-9(16,17)18;1-3(9,10)4(2)19-6(13,8(17,18)20-4)5(11,12)7(14,15)16;1-3(9,10)4(2)17-5(11)6(12,18-4)8(15,16)19-7(5,13)14;1-4(9,10)6(3)16-5(2,11)7(12,17-6)8(13,14)15;1-3(8,9)4(2)16-5(10,6(11,12)13)7(14,15)17-4;1-3(7,8)4(2)13-5(9,10)6(11,12)14-4;1-3-5-4-2/h1-5H3;2*1-2H3;1-2H3;1-4H3;1-2H3;1-3H3;1-2H3;1-2H3;1-3H3;1-2H3;1-2H3;1H,2H3.
What are the key properties of 4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne?
4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne has a molecular weight of 4181.76 g/mol, XLogP of 50.81, 21 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-3a,4,4,5,5,6,6,7,7,7a-decafluoro-2-methyl-1,3-benzodioxole;2-(1,1-difluoroethyl)-3a,4,4,6,6,6a-hexafluoro-2-methylfuro[3,4-d][1,3]dioxole;2-(1,1-difluoroethyl)-4,5-difluoro-2,4-dimethyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4-[difluoro(trifluoromethoxy)methyl]-4,5-difluoro-2,5-dimethyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-methyl-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-4,4,5-trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane;2-(1,1-difluoroethyl)-2,4,4-trimethyl-5,5-bis(trifluoromethyl)-1,3-dioxolane;penta-1,3-diyne is sourced from PubChem (CID 163701748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).