2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C121H126F104O17 — CID 159263241

IUPAC2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1C(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C(C)C1C(O)(C(F)(F)F)C(F)(F)F.OC(C1CC(C(O)(C(F)(F)F)C(F)(F)F)C(F)C(C(O)(C(F)(F)F)C(F)(F)F)C1F)(C(F)(F)F)C(F)(F)F.OC(C1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)(C(F)(F)F)C(F)(F)F.OC(C1CC(C2CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C2)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)(C(F)(F)F)C(F)(F)F.OC(C1CC2CCCCC2C2CCCCC21)(C(F)(F)F)C(F)(F)F.OC(C1CCC(C2CC(C3CCC(C(O)(C(F)(F)F)C(F)(F)F)CC3)CC(C3CCC(C(O)(C(F)(F)F)C(F)(F)F)CC3)C2)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C33H42F18O3.C24H22F24O4.C17H16F18O3.C17H24F6O.C15H10F20O3.C15H12F18O3/c34-28(35,36)25(52,29(37,38)39)22-7-1-16(2-8-22)19-13-20(17-3-9-23(10-4-17)26(53,30(40,41)42)31(43,44)45)15-21(14-19)18-5-11-24(12-6-18)27(54,32(46,47)48)33(49,50)51;25-17(26,27)13(49,18(28,29)30)9-1-7(2-10(5-9)14(50,19(31,32)33)20(34,35)36)8-3-11(15(51,21(37,38)39)22(40,41)42)6-12(4-8)16(52,23(43,44)45)24(46,47)48;1-4-6(9(36,12(18,19)20)13(21,22)23)3-7(10(37,14(24,25)26)15(27,28)29)5(2)8(4)11(38,16(30,31)32)17(33,34)35;18-16(19,20)15(24,17(21,22)23)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14;16-5-2(7(36,10(18,19)20)11(21,22)23)1-3(8(37,12(24,25)26)13(27,28)29)6(17)4(5)9(38,14(30,31)32)15(33,34)35;16-10(17,18)7(34,11(19,20)21)4-1-5(8(35,12(22,23)24)13(25,26)27)3-6(2-4)9(36,14(28,29)30)15(31,32)33/h16-24,52-54H,1-15H2;7-12,49-52H,1-6H2;4-8,36-38H,3H2,1-2H3;10-14,24H,1-9H2;2-6,36-38H,1H2;4-6,34-36H,1-3H2
InChIKeyKWTUJWPSAKGGBW-UHFFFAOYSA-N
MW3828.11 g/mol
LogP42.10
Rot. Bonds21

About 2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 159263241) has the molecular formula C121H126F104O17 and a molecular weight of 3828.11 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID159263241
Molecular FormulaC121H126F104O17
Molecular Weight3828.11 g/mol
Exact Mass3826.73
IUPAC Name2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1C(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C(C)C1C(O)(C(F)(F)F)C(F)(F)F.OC(C1CC(C(O)(C(F)(F)F)C(F)(F)F)C(F)C(C(O)(C(F)(F)F)C(F)(F)F)C1F)(C(F)(F)F)C(F)(F)F.OC(C1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)(C(F)(F)F)C(F)(F)F.OC(C1CC(C2CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C2)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)(C(F)(F)F)C(F)(F)F.OC(C1CC2CCCCC2C2CCCCC21)(C(F)(F)F)C(F)(F)F.OC(C1CCC(C2CC(C3CCC(C(O)(C(F)(F)F)C(F)(F)F)CC3)CC(C3CCC(C(O)(C(F)(F)F)C(F)(F)F)CC3)C2)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C33H42F18O3.C24H22F24O4.C17H16F18O3.C17H24F6O.C15H10F20O3.C15H12F18O3/c34-28(35,36)25(52,29(37,38)39)22-7-1-16(2-8-22)19-13-20(17-3-9-23(10-4-17)26(53,30(40,41)42)31(43,44)45)15-21(14-19)18-5-11-24(12-6-18)27(54,32(46,47)48)33(49,50)51;25-17(26,27)13(49,18(28,29)30)9-1-7(2-10(5-9)14(50,19(31,32)33)20(34,35)36)8-3-11(15(51,21(37,38)39)22(40,41)42)6-12(4-8)16(52,23(43,44)45)24(46,47)48;1-4-6(9(36,12(18,19)20)13(21,22)23)3-7(10(37,14(24,25)26)15(27,28)29)5(2)8(4)11(38,16(30,31)32)17(33,34)35;18-16(19,20)15(24,17(21,22)23)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14;16-5-2(7(36,10(18,19)20)11(21,22)23)1-3(8(37,12(24,25)26)13(27,28)29)6(17)4(5)9(38,14(30,31)32)15(33,34)35;16-10(17,18)7(34,11(19,20)21)4-1-5(8(35,12(22,23)24)13(25,26)27)3-6(2-4)9(36,14(28,29)30)15(31,32)33/h16-24,52-54H,1-15H2;7-12,49-52H,1-6H2;4-8,36-38H,3H2,1-2H3;10-14,24H,1-9H2;2-6,36-38H,1H2;4-6,34-36H,1-3H2
InChIKeyKWTUJWPSAKGGBW-UHFFFAOYSA-N
XLogP42.10
TPSA343.91 Ų
H-Bond Donors17
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003828.11
LogP ≤ 542.10
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1017

Analyze 2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 88585675
1,1,1,3,3,3-hexafluoro-2-[(1S)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]propan-2-ol
CID 122674579
1,1,1,3,3,3-hexafluoro-2-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol
CID 59850824
1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol
CID 134224504
2-(1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylen-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59850786
1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 59850826
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol
CID 118231680
2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 59716049
[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl] 2-methylprop-2-enoate
CID 58695475
16-tert-butyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 123410307
7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 88586098

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 159263241) is 2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CC1C(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C(C)C1C(O)(C(F)(F)F)C(F)(F)F.OC(C1CC(C(O)(C(F)(F)F)C(F)(F)F)C(F)C(C(O)(C(F)(F)F)C(F)(F)F)C1F)(C(F)(F)F)C(F)(F)F.OC(C1CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)(C(F)(F)F)C(F)(F)F.OC(C1CC(C2CC(C(O)(C(F)(F)F)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C2)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)(C(F)(F)F)C(F)(F)F.OC(C1CC2CCCCC2C2CCCCC21)(C(F)(F)F)C(F)(F)F.OC(C1CCC(C2CC(C3CCC(C(O)(C(F)(F)F)C(F)(F)F)CC3)CC(C3CCC(C(O)(C(F)(F)F)C(F)(F)F)CC3)C2)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is KWTUJWPSAKGGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42F18O3.C24H22F24O4.C17H16F18O3.C17H24F6O.C15H10F20O3.C15H12F18O3/c34-28(35,36)25(52,29(37,38)39)22-7-1-16(2-8-22)19-13-20(17-3-9-23(10-4-17)26(53,30(40,41)42)31(43,44)45)15-21(14-19)18-5-11-24(12-6-18)27(54,32(46,47)48)33(49,50)51;25-17(26,27)13(49,18(28,29)30)9-1-7(2-10(5-9)14(50,19(31,32)33)20(34,35)36)8-3-11(15(51,21(37,38)39)22(40,41)42)6-12(4-8)16(52,23(43,44)45)24(46,47)48;1-4-6(9(36,12(18,19)20)13(21,22)23)3-7(10(37,14(24,25)26)15(27,28)29)5(2)8(4)11(38,16(30,31)32)17(33,34)35;18-16(19,20)15(24,17(21,22)23)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14;16-5-2(7(36,10(18,19)20)11(21,22)23)1-3(8(37,12(24,25)26)13(27,28)29)6(17)4(5)9(38,14(30,31)32)15(33,34)35;16-10(17,18)7(34,11(19,20)21)4-1-5(8(35,12(22,23)24)13(25,26)27)3-6(2-4)9(36,14(28,29)30)15(31,32)33/h16-24,52-54H,1-15H2;7-12,49-52H,1-6H2;4-8,36-38H,3H2,1-2H3;10-14,24H,1-9H2;2-6,36-38H,1H2;4-6,34-36H,1-3H2.
What are the key properties of 2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 3828.11 g/mol, XLogP of 42.10, 21 rotatable bonds, 17 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-[3,5-bis[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]cyclohexyl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,4-dimethylcyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2,4-difluoro-3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 159263241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).