(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate

C156H196F36O74 — CID 157075847

IUPAC(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate
SMILESCC(C)(C(=O)OC1CCOC1=O)C(F)(F)F.CC(C)(F)C(=O)OC1CCOC1=O.CC(F)(F)C(=O)OC1(C)CCC2CC1OC2=O.CC(F)(F)C(=O)OC1(C)CCCOC1=O.CC(F)(F)C(=O)OC1(C)CCOC1=O.CC(F)(F)C(=O)OC1C(=O)OCC1(C)C.CC(F)(F)C(=O)OC1C(=O)OCC1O.CC(F)(F)C(=O)OC1CCC2CC1(C)OC2=O.CC(F)(F)C(=O)OC1CCC2CC1OC2=O.CC(F)(F)C(=O)OC1CCCCOC1=O.CC(F)(F)C(=O)OC1CCCOC1=O.CC(F)(F)C(=O)OC1CCOC1=O.CC(F)(F)C(=O)OC1COC(=O)C1.CC(F)(F)C(=O)OC1COC(=O)C1O.CC(F)(F)C(=O)OCC1CCC(=O)O1.CC1CC2CC(OC2=O)C1OC(=O)C(C)(F)F.CC1CCC(OC(=O)C(C)(F)F)C(=O)O1.CC1OC(=O)CC1OC(=O)C(C)(F)F
InChIInChI=1S/3C11H14F2O4.C10H12F2O4.C9H11F3O4.4C9H12F2O4.4C8H10F2O4.C8H11FO4.2C7H8F2O5.2C7H8F2O4/c1-5-3-6-4-7(16-9(6)14)8(5)17-10(15)11(2,12)13;1-10(17-9(15)11(2,12)13)4-3-6-5-7(10)16-8(6)14;1-10-5-6(8(14)17-10)3-4-7(10)16-9(15)11(2,12)13;1-10(11,12)9(14)16-6-3-2-5-4-7(6)15-8(5)13;1-8(2,9(10,11)12)7(14)16-5-3-4-15-6(5)13;1-8(2)4-14-6(12)5(8)15-7(13)9(3,10)11;1-8(4-3-5-14-6(8)12)15-7(13)9(2,10)11;1-5-3-4-6(7(12)14-5)15-8(13)9(2,10)11;1-9(10,11)8(13)15-6-4-2-3-5-14-7(6)12;1-7(3-4-13-5(7)11)14-6(12)8(2,9)10;1-4-5(3-6(11)13-4)14-7(12)8(2,9)10;1-8(9,10)7(12)13-4-5-2-3-6(11)14-5;1-8(9,10)7(12)14-5-3-2-4-13-6(5)11;1-8(2,9)7(11)13-5-3-4-12-6(5)10;1-7(8,9)6(12)14-3-2-13-5(11)4(3)10;1-7(8,9)6(12)14-4-3(10)2-13-5(4)11;1-7(8,9)6(11)13-4-2-5(10)12-3-4;1-7(8,9)6(11)13-4-2-3-12-5(4)10/h5-8H,3-4H2,1-2H3;2*6-7H,3-5H2,1-2H3;5-7H,2-4H2,1H3;5H,3-4H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;5-6H,3-4H2,1-2H3;6H,2-5H2,1H3;3-4H2,1-2H3;4-5H,3H2,1-2H3;2*5H,2-4H2,1H3;5H,3-4H2,1-2H3;2*3-4,10H,2H2,1H3;2*4H,2-3H2,1H3
InChIKeyACYSBEORHQIIBK-UHFFFAOYSA-N
MW3939.14 g/mol
LogP16.65
Rot. Bonds37

About (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate

(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate (PubChem CID 157075847) has the molecular formula C156H196F36O74 and a molecular weight of 3939.14 g/mol. Its IUPAC name is (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate.

Molecular Properties

Compound Name(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate
PubChem CID157075847
Molecular FormulaC156H196F36O74
Molecular Weight3939.14 g/mol
Exact Mass3937.10
IUPAC Name(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate
SMILESCC(C)(C(=O)OC1CCOC1=O)C(F)(F)F.CC(C)(F)C(=O)OC1CCOC1=O.CC(F)(F)C(=O)OC1(C)CCC2CC1OC2=O.CC(F)(F)C(=O)OC1(C)CCCOC1=O.CC(F)(F)C(=O)OC1(C)CCOC1=O.CC(F)(F)C(=O)OC1C(=O)OCC1(C)C.CC(F)(F)C(=O)OC1C(=O)OCC1O.CC(F)(F)C(=O)OC1CCC2CC1(C)OC2=O.CC(F)(F)C(=O)OC1CCC2CC1OC2=O.CC(F)(F)C(=O)OC1CCCCOC1=O.CC(F)(F)C(=O)OC1CCCOC1=O.CC(F)(F)C(=O)OC1CCOC1=O.CC(F)(F)C(=O)OC1COC(=O)C1.CC(F)(F)C(=O)OC1COC(=O)C1O.CC(F)(F)C(=O)OCC1CCC(=O)O1.CC1CC2CC(OC2=O)C1OC(=O)C(C)(F)F.CC1CCC(OC(=O)C(C)(F)F)C(=O)O1.CC1OC(=O)CC1OC(=O)C(C)(F)F
InChIInChI=1S/3C11H14F2O4.C10H12F2O4.C9H11F3O4.4C9H12F2O4.4C8H10F2O4.C8H11FO4.2C7H8F2O5.2C7H8F2O4/c1-5-3-6-4-7(16-9(6)14)8(5)17-10(15)11(2,12)13;1-10(17-9(15)11(2,12)13)4-3-6-5-7(10)16-8(6)14;1-10-5-6(8(14)17-10)3-4-7(10)16-9(15)11(2,12)13;1-10(11,12)9(14)16-6-3-2-5-4-7(6)15-8(5)13;1-8(2,9(10,11)12)7(14)16-5-3-4-15-6(5)13;1-8(2)4-14-6(12)5(8)15-7(13)9(3,10)11;1-8(4-3-5-14-6(8)12)15-7(13)9(2,10)11;1-5-3-4-6(7(12)14-5)15-8(13)9(2,10)11;1-9(10,11)8(13)15-6-4-2-3-5-14-7(6)12;1-7(3-4-13-5(7)11)14-6(12)8(2,9)10;1-4-5(3-6(11)13-4)14-7(12)8(2,9)10;1-8(9,10)7(12)13-4-5-2-3-6(11)14-5;1-8(9,10)7(12)14-5-3-2-4-13-6(5)11;1-8(2,9)7(11)13-5-3-4-12-6(5)10;1-7(8,9)6(12)14-3-2-13-5(11)4(3)10;1-7(8,9)6(12)14-4-3(10)2-13-5(4)11;1-7(8,9)6(11)13-4-2-5(10)12-3-4;1-7(8,9)6(11)13-4-2-3-12-5(4)10/h5-8H,3-4H2,1-2H3;2*6-7H,3-5H2,1-2H3;5-7H,2-4H2,1H3;5H,3-4H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;5-6H,3-4H2,1-2H3;6H,2-5H2,1H3;3-4H2,1-2H3;4-5H,3H2,1-2H3;2*5H,2-4H2,1H3;5H,3-4H2,1-2H3;2*3-4,10H,2H2,1H3;2*4H,2-3H2,1H3
InChIKeyACYSBEORHQIIBK-UHFFFAOYSA-N
XLogP16.65
TPSA987.26 Ų
H-Bond Donors2
H-Bond Acceptors74
Rotatable Bonds37
Heavy Atoms266
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003939.14
LogP ≤ 516.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1074

Analyze (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate?
The IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate (CID 157075847) is (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate.
What is the SMILES notation for (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate?
The canonical SMILES for (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate is CC(C)(C(=O)OC1CCOC1=O)C(F)(F)F.CC(C)(F)C(=O)OC1CCOC1=O.CC(F)(F)C(=O)OC1(C)CCC2CC1OC2=O.CC(F)(F)C(=O)OC1(C)CCCOC1=O.CC(F)(F)C(=O)OC1(C)CCOC1=O.CC(F)(F)C(=O)OC1C(=O)OCC1(C)C.CC(F)(F)C(=O)OC1C(=O)OCC1O.CC(F)(F)C(=O)OC1CCC2CC1(C)OC2=O.CC(F)(F)C(=O)OC1CCC2CC1OC2=O.CC(F)(F)C(=O)OC1CCCCOC1=O.CC(F)(F)C(=O)OC1CCCOC1=O.CC(F)(F)C(=O)OC1CCOC1=O.CC(F)(F)C(=O)OC1COC(=O)C1.CC(F)(F)C(=O)OC1COC(=O)C1O.CC(F)(F)C(=O)OCC1CCC(=O)O1.CC1CC2CC(OC2=O)C1OC(=O)C(C)(F)F.CC1CCC(OC(=O)C(C)(F)F)C(=O)O1.CC1OC(=O)CC1OC(=O)C(C)(F)F.
What is the InChIKey of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate?
The InChIKey is ACYSBEORHQIIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H14F2O4.C10H12F2O4.C9H11F3O4.4C9H12F2O4.4C8H10F2O4.C8H11FO4.2C7H8F2O5.2C7H8F2O4/c1-5-3-6-4-7(16-9(6)14)8(5)17-10(15)11(2,12)13;1-10(17-9(15)11(2,12)13)4-3-6-5-7(10)16-8(6)14;1-10-5-6(8(14)17-10)3-4-7(10)16-9(15)11(2,12)13;1-10(11,12)9(14)16-6-3-2-5-4-7(6)15-8(5)13;1-8(2,9(10,11)12)7(14)16-5-3-4-15-6(5)13;1-8(2)4-14-6(12)5(8)15-7(13)9(3,10)11;1-8(4-3-5-14-6(8)12)15-7(13)9(2,10)11;1-5-3-4-6(7(12)14-5)15-8(13)9(2,10)11;1-9(10,11)8(13)15-6-4-2-3-5-14-7(6)12;1-7(3-4-13-5(7)11)14-6(12)8(2,9)10;1-4-5(3-6(11)13-4)14-7(12)8(2,9)10;1-8(9,10)7(12)13-4-5-2-3-6(11)14-5;1-8(9,10)7(12)14-5-3-2-4-13-6(5)11;1-8(2,9)7(11)13-5-3-4-12-6(5)10;1-7(8,9)6(12)14-3-2-13-5(11)4(3)10;1-7(8,9)6(12)14-4-3(10)2-13-5(4)11;1-7(8,9)6(11)13-4-2-5(10)12-3-4;1-7(8,9)6(11)13-4-2-3-12-5(4)10/h5-8H,3-4H2,1-2H3;2*6-7H,3-5H2,1-2H3;5-7H,2-4H2,1H3;5H,3-4H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;5-6H,3-4H2,1-2H3;6H,2-5H2,1H3;3-4H2,1-2H3;4-5H,3H2,1-2H3;2*5H,2-4H2,1H3;5H,3-4H2,1-2H3;2*3-4,10H,2H2,1H3;2*4H,2-3H2,1H3.
What are the key properties of (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate?
(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate has a molecular weight of 3939.14 g/mol, XLogP of 16.65, 37 rotatable bonds, 2 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(6-methyl-2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-methyl-5-oxooxolan-3-yl) 2,2-difluoropropanoate;(3-methyl-2-oxooxolan-3-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(2-oxooxan-3-yl) 2,2-difluoropropanoate;(2-oxooxepan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2-fluoro-2-methylpropanoate;(5-oxooxolan-2-yl)methyl 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate is sourced from PubChem (CID 157075847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).