2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol

C148H257F69N2O26S2 — CID 157169688

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C)C(=O)NS(=O)(=O)C(F)(F)F.CCC(C)(C)C(=O)NS(C)(=O)=O.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC(C)CC(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.CCC(C)(C)C(=O)OCCC(O)(C(F)(F)F)C(F)(F)F.CCC(C)CC(O)(C(F)(F)F)C(F)(F)F.CCC(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C(O)(C(F)(F)F)C(F)(F)F)c1.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H22F12O4.C18H22F12O3.C16H14F12O2.C13H18F6O.C12H18F6O3.C11H16F6O3.C11H14F6O.C8H12F6O.C7H12F3NO3S.C7H15NO3S.C7H14O2.20CH4/c1-4-12(2,3)11(31)34-10-6-8(13(32,15(19,20)21)16(22,23)24)5-9(7-10)14(33,17(25,26)27)18(28,29)30;1-4-12(2,3)11(31)33-14(17(25,26)27,18(28,29)30)10-7-5-9(6-8-10)13(32,15(19,20)21)16(22,23)24;1-3-7(2)8-4-9(11(29,13(17,18)19)14(20,21)22)6-10(5-8)12(30,15(23,24)25)16(26,27)28;1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;1-5-9(3,4)8(19)21-7(2)6-10(20,11(13,14)15)12(16,17)18;1-4-8(2,3)7(18)20-6-5-9(19,10(12,13)14)11(15,16)17;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-3-5(2)4-6(15,7(9,10)11)8(12,13)14;1-4-6(2,3)5(12)11-15(13,14)7(8,9)10;1-5-7(2,3)6(9)8-12(4,10)11;1-5-7(2,3)6(8)9-4;;;;;;;;;;;;;;;;;;;;/h8-10,32-33H,4-7H2,1-3H3;9-10,32H,4-8H2,1-3H3;4-7,29-30H,3H2,1-2H3;6-10,20H,3-5H2,1-2H3;7,20H,5-6H2,1-4H3;19H,4-6H2,1-3H3;6-8,18H,1-5H2;5,15H,3-4H2,1-2H3;4H2,1-3H3,(H,11,12);5H2,1-4H3,(H,8,9);5H2,1-4H3;20*1H4
InChIKeyANHWDIBUCPASOW-UHFFFAOYSA-N
MW3855.67 g/mol
LogP51.90
Rot. Bonds39

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol

2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol (PubChem CID 157169688) has the molecular formula C148H257F69N2O26S2 and a molecular weight of 3855.67 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol
PubChem CID157169688
Molecular FormulaC148H257F69N2O26S2
Molecular Weight3855.67 g/mol
Exact Mass3853.72
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C)C(=O)NS(=O)(=O)C(F)(F)F.CCC(C)(C)C(=O)NS(C)(=O)=O.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC(C)CC(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.CCC(C)(C)C(=O)OCCC(O)(C(F)(F)F)C(F)(F)F.CCC(C)CC(O)(C(F)(F)F)C(F)(F)F.CCC(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C(O)(C(F)(F)F)C(F)(F)F)c1.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H22F12O4.C18H22F12O3.C16H14F12O2.C13H18F6O.C12H18F6O3.C11H16F6O3.C11H14F6O.C8H12F6O.C7H12F3NO3S.C7H15NO3S.C7H14O2.20CH4/c1-4-12(2,3)11(31)34-10-6-8(13(32,15(19,20)21)16(22,23)24)5-9(7-10)14(33,17(25,26)27)18(28,29)30;1-4-12(2,3)11(31)33-14(17(25,26)27,18(28,29)30)10-7-5-9(6-8-10)13(32,15(19,20)21)16(22,23)24;1-3-7(2)8-4-9(11(29,13(17,18)19)14(20,21)22)6-10(5-8)12(30,15(23,24)25)16(26,27)28;1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;1-5-9(3,4)8(19)21-7(2)6-10(20,11(13,14)15)12(16,17)18;1-4-8(2,3)7(18)20-6-5-9(19,10(12,13)14)11(15,16)17;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-3-5(2)4-6(15,7(9,10)11)8(12,13)14;1-4-6(2,3)5(12)11-15(13,14)7(8,9)10;1-5-7(2,3)6(9)8-12(4,10)11;1-5-7(2,3)6(8)9-4;;;;;;;;;;;;;;;;;;;;/h8-10,32-33H,4-7H2,1-3H3;9-10,32H,4-8H2,1-3H3;4-7,29-30H,3H2,1-2H3;6-10,20H,3-5H2,1-2H3;7,20H,5-6H2,1-4H3;19H,4-6H2,1-3H3;6-8,18H,1-5H2;5,15H,3-4H2,1-2H3;4H2,1-3H3,(H,11,12);5H2,1-4H3,(H,8,9);5H2,1-4H3;20*1H4
InChIKeyANHWDIBUCPASOW-UHFFFAOYSA-N
XLogP51.90
TPSA460.28 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds39
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003855.67
LogP ≤ 551.90
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol (CID 157169688) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C)C(=O)NS(=O)(=O)C(F)(F)F.CCC(C)(C)C(=O)NS(C)(=O)=O.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC(C)CC(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.CCC(C)(C)C(=O)OCCC(O)(C(F)(F)F)C(F)(F)F.CCC(C)CC(O)(C(F)(F)F)C(F)(F)F.CCC(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C(O)(C(F)(F)F)C(F)(F)F)c1.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol?
The InChIKey is ANHWDIBUCPASOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F12O4.C18H22F12O3.C16H14F12O2.C13H18F6O.C12H18F6O3.C11H16F6O3.C11H14F6O.C8H12F6O.C7H12F3NO3S.C7H15NO3S.C7H14O2.20CH4/c1-4-12(2,3)11(31)34-10-6-8(13(32,15(19,20)21)16(22,23)24)5-9(7-10)14(33,17(25,26)27)18(28,29)30;1-4-12(2,3)11(31)33-14(17(25,26)27,18(28,29)30)10-7-5-9(6-8-10)13(32,15(19,20)21)16(22,23)24;1-3-7(2)8-4-9(11(29,13(17,18)19)14(20,21)22)6-10(5-8)12(30,15(23,24)25)16(26,27)28;1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;1-5-9(3,4)8(19)21-7(2)6-10(20,11(13,14)15)12(16,17)18;1-4-8(2,3)7(18)20-6-5-9(19,10(12,13)14)11(15,16)17;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-3-5(2)4-6(15,7(9,10)11)8(12,13)14;1-4-6(2,3)5(12)11-15(13,14)7(8,9)10;1-5-7(2,3)6(9)8-12(4,10)11;1-5-7(2,3)6(8)9-4;;;;;;;;;;;;;;;;;;;;/h8-10,32-33H,4-7H2,1-3H3;9-10,32H,4-8H2,1-3H3;4-7,29-30H,3H2,1-2H3;6-10,20H,3-5H2,1-2H3;7,20H,5-6H2,1-4H3;19H,4-6H2,1-3H3;6-8,18H,1-5H2;5,15H,3-4H2,1-2H3;4H2,1-3H3,(H,11,12);5H2,1-4H3,(H,8,9);5H2,1-4H3;20*1H4.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol?
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol has a molecular weight of 3855.67 g/mol, XLogP of 51.90, 39 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,2-dimethyl-N-methylsulfonylbutanamide;2,2-dimethyl-N-(trifluoromethylsulfonyl)butanamide;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-ol is sourced from PubChem (CID 157169688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).