cyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate

C152H242F26O26 — CID 159616864

IUPACcyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate
SMILESCC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)C(C)(F)F)CCC4(C)C3CCC12C.CC(F)(F)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC1CC1.CC(F)(F)C(=O)OCC1CCC1.CC(F)(F)C(=O)OCC1CCCC1.CC(F)(F)C(=O)OCC1CCCCC1.CC(F)(F)C(=O)OCC1CCCCCC1.CC(F)(F)C(=O)OCCC1CCCCC1.CC(F)(F)C(=O)OCCCC1CCCC1.CC(F)(F)C(=O)OCCCC1CCCCC1.CC(F)(F)C(=O)OCCCCC1CCCCC1.CC1(COC(=O)C(C)(F)F)CC1.CC1CC1COC(=O)C(C)(F)F
InChIInChI=1S/C30H50F2O2.C14H20F2O2.C13H22F2O2.C12H20F2O2.3C11H18F2O2.C10H16F2O2.C9H14F2O2.3C8H12F2O2.C7H10F2O2/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(34-27(33)30(6,31)32)14-16-28(21,4)26(23)15-17-29(24,25)5;1-13(18-12(17)14(2,15)16)10-4-8-3-9(6-10)7-11(13)5-8;1-13(14,15)12(16)17-10-6-5-9-11-7-3-2-4-8-11;1-12(13,14)11(15)16-9-5-8-10-6-3-2-4-7-10;1-11(12,13)10(14)15-8-4-7-9-5-2-3-6-9;1-11(12,13)10(14)15-8-7-9-5-3-2-4-6-9;1-11(12,13)10(14)15-8-9-6-4-2-3-5-7-9;1-10(11,12)9(13)14-7-8-5-3-2-4-6-8;1-9(10,11)8(12)13-6-7-4-2-3-5-7;1-5-3-6(5)4-12-7(11)8(2,9)10;1-7(3-4-7)5-12-6(11)8(2,9)10;1-8(9,10)7(11)12-5-6-3-2-4-6;1-7(8,9)6(10)11-4-5-2-3-5/h19-26H,7-18H2,1-6H3;8-11H,3-7H2,1-2H3;11H,2-10H2,1H3;10H,2-9H2,1H3;3*9H,2-8H2,1H3;8H,2-7H2,1H3;7H,2-6H2,1H3;5-6H,3-4H2,1-2H3;3-5H2,1-2H3;6H,2-5H2,1H3;5H,2-4H2,1H3
InChIKeyMNJSVYLZPLMZON-UHFFFAOYSA-N
MW2979.53 g/mol
LogP41.57
Rot. Bonds50

About cyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate

cyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate (PubChem CID 159616864) has the molecular formula C152H242F26O26 and a molecular weight of 2979.53 g/mol. Its IUPAC name is cyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate.

Molecular Properties

Compound Namecyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate
PubChem CID159616864
Molecular FormulaC152H242F26O26
Molecular Weight2979.53 g/mol
Exact Mass2977.72
IUPAC Namecyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate
SMILESCC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)C(C)(F)F)CCC4(C)C3CCC12C.CC(F)(F)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC1CC1.CC(F)(F)C(=O)OCC1CCC1.CC(F)(F)C(=O)OCC1CCCC1.CC(F)(F)C(=O)OCC1CCCCC1.CC(F)(F)C(=O)OCC1CCCCCC1.CC(F)(F)C(=O)OCCC1CCCCC1.CC(F)(F)C(=O)OCCCC1CCCC1.CC(F)(F)C(=O)OCCCC1CCCCC1.CC(F)(F)C(=O)OCCCCC1CCCCC1.CC1(COC(=O)C(C)(F)F)CC1.CC1CC1COC(=O)C(C)(F)F
InChIInChI=1S/C30H50F2O2.C14H20F2O2.C13H22F2O2.C12H20F2O2.3C11H18F2O2.C10H16F2O2.C9H14F2O2.3C8H12F2O2.C7H10F2O2/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(34-27(33)30(6,31)32)14-16-28(21,4)26(23)15-17-29(24,25)5;1-13(18-12(17)14(2,15)16)10-4-8-3-9(6-10)7-11(13)5-8;1-13(14,15)12(16)17-10-6-5-9-11-7-3-2-4-8-11;1-12(13,14)11(15)16-9-5-8-10-6-3-2-4-7-10;1-11(12,13)10(14)15-8-4-7-9-5-2-3-6-9;1-11(12,13)10(14)15-8-7-9-5-3-2-4-6-9;1-11(12,13)10(14)15-8-9-6-4-2-3-5-7-9;1-10(11,12)9(13)14-7-8-5-3-2-4-6-8;1-9(10,11)8(12)13-6-7-4-2-3-5-7;1-5-3-6(5)4-12-7(11)8(2,9)10;1-7(3-4-7)5-12-6(11)8(2,9)10;1-8(9,10)7(11)12-5-6-3-2-4-6;1-7(8,9)6(10)11-4-5-2-3-5/h19-26H,7-18H2,1-6H3;8-11H,3-7H2,1-2H3;11H,2-10H2,1H3;10H,2-9H2,1H3;3*9H,2-8H2,1H3;8H,2-7H2,1H3;7H,2-6H2,1H3;5-6H,3-4H2,1-2H3;3-5H2,1-2H3;6H,2-5H2,1H3;5H,2-4H2,1H3
InChIKeyMNJSVYLZPLMZON-UHFFFAOYSA-N
XLogP41.57
TPSA341.90 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds50
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002979.53
LogP ≤ 541.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze cyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate with MolForge

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Related Compounds

[(3S,5S,8S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate
CID 177101509
[(3S,5S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-methylpropanoate
CID 174031130
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbamate
CID 77498179
[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,3,4,4,4-pentafluorobutanoate
CID 13409219
(3S,10S,13R)-3-(3,3-dimethylbut-1-en-2-yloxy)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 122575695
2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2,2-difluoroacetic acid
CID 164747598
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-methylbutanoate;2-methylbutanoic acid
CID 162006813
[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
CID 99594443
[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,3-difluorobutanoate;[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,3-difluorobutanoate;[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate
CID 158032283
azane;[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
CID 175821433
[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanesulfonate
CID 99571551
[(3S,8R,10S,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-methylsulfanylacetate
CID 90180495

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate?
The IUPAC name of cyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate (CID 159616864) is cyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate.
What is the SMILES notation for cyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate?
The canonical SMILES for cyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate is CC(C)CCCC(C)C1CCC2C3CCC4CC(OC(=O)C(C)(F)F)CCC4(C)C3CCC12C.CC(F)(F)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)C(=O)OCC1CC1.CC(F)(F)C(=O)OCC1CCC1.CC(F)(F)C(=O)OCC1CCCC1.CC(F)(F)C(=O)OCC1CCCCC1.CC(F)(F)C(=O)OCC1CCCCCC1.CC(F)(F)C(=O)OCCC1CCCCC1.CC(F)(F)C(=O)OCCCC1CCCC1.CC(F)(F)C(=O)OCCCC1CCCCC1.CC(F)(F)C(=O)OCCCCC1CCCCC1.CC1(COC(=O)C(C)(F)F)CC1.CC1CC1COC(=O)C(C)(F)F.
What is the InChIKey of cyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate?
The InChIKey is MNJSVYLZPLMZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50F2O2.C14H20F2O2.C13H22F2O2.C12H20F2O2.3C11H18F2O2.C10H16F2O2.C9H14F2O2.3C8H12F2O2.C7H10F2O2/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(34-27(33)30(6,31)32)14-16-28(21,4)26(23)15-17-29(24,25)5;1-13(18-12(17)14(2,15)16)10-4-8-3-9(6-10)7-11(13)5-8;1-13(14,15)12(16)17-10-6-5-9-11-7-3-2-4-8-11;1-12(13,14)11(15)16-9-5-8-10-6-3-2-4-7-10;1-11(12,13)10(14)15-8-4-7-9-5-2-3-6-9;1-11(12,13)10(14)15-8-7-9-5-3-2-4-6-9;1-11(12,13)10(14)15-8-9-6-4-2-3-5-7-9;1-10(11,12)9(13)14-7-8-5-3-2-4-6-8;1-9(10,11)8(12)13-6-7-4-2-3-5-7;1-5-3-6(5)4-12-7(11)8(2,9)10;1-7(3-4-7)5-12-6(11)8(2,9)10;1-8(9,10)7(11)12-5-6-3-2-4-6;1-7(8,9)6(10)11-4-5-2-3-5/h19-26H,7-18H2,1-6H3;8-11H,3-7H2,1-2H3;11H,2-10H2,1H3;10H,2-9H2,1H3;3*9H,2-8H2,1H3;8H,2-7H2,1H3;7H,2-6H2,1H3;5-6H,3-4H2,1-2H3;3-5H2,1-2H3;6H,2-5H2,1H3;5H,2-4H2,1H3.
What are the key properties of cyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate?
cyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate has a molecular weight of 2979.53 g/mol, XLogP of 41.57, 50 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;2-cyclohexylethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;3-cyclohexylpropyl 2,2-difluoropropanoate;cyclopentylmethyl 2,2-difluoropropanoate;3-cyclopentylpropyl 2,2-difluoropropanoate;cyclopropylmethyl 2,2-difluoropropanoate;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-difluoropropanoate;(2-methyl-2-adamantyl) 2,2-difluoropropanoate;(1-methylcyclopropyl)methyl 2,2-difluoropropanoate;(2-methylcyclopropyl)methyl 2,2-difluoropropanoate is sourced from PubChem (CID 159616864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).