1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol

C80H130F12O6Si3 — CID 159262786

IUPAC1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol
SMILESC.C.C.C.C.C.CC(O)(CC1CC2CC1C1C3CCC(C3)C21)C(F)(F)F.CO[Si](C)(C)c1ccccc1.CO[Si](C)(C)c1ccccc1.CO[Si](C)(C)c1ccccc1.OC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F.OC(CC1CC2CC1C1C3CCC(C3)C21)C(F)(F)F
InChIInChI=1S/C16H20F6O.C16H23F3O.C15H21F3O.3C9H14OSi.6CH4/c17-15(18,19)14(23,16(20,21)22)6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13;1-15(20,16(17,18)19)7-11-5-10-6-12(11)14-9-3-2-8(4-9)13(10)14;16-15(17,18)12(19)6-9-4-10-5-11(9)14-8-2-1-7(3-8)13(10)14;3*1-10-11(2,3)9-7-5-4-6-8-9;;;;;;/h7-13,23H,1-6H2;8-14,20H,2-7H2,1H3;7-14,19H,1-6H2;3*4-8H,1-3H3;6*1H4
InChIKeyKWSIZRGLNOWBJQ-UHFFFAOYSA-N
MW1500.15 g/mol
LogP21.23
Rot. Bonds12

About 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol (PubChem CID 159262786) has the molecular formula C80H130F12O6Si3 and a molecular weight of 1500.15 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol
PubChem CID159262786
Molecular FormulaC80H130F12O6Si3
Molecular Weight1500.15 g/mol
Exact Mass1498.90
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol
SMILESC.C.C.C.C.C.CC(O)(CC1CC2CC1C1C3CCC(C3)C21)C(F)(F)F.CO[Si](C)(C)c1ccccc1.CO[Si](C)(C)c1ccccc1.CO[Si](C)(C)c1ccccc1.OC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F.OC(CC1CC2CC1C1C3CCC(C3)C21)C(F)(F)F
InChIInChI=1S/C16H20F6O.C16H23F3O.C15H21F3O.3C9H14OSi.6CH4/c17-15(18,19)14(23,16(20,21)22)6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13;1-15(20,16(17,18)19)7-11-5-10-6-12(11)14-9-3-2-8(4-9)13(10)14;16-15(17,18)12(19)6-9-4-10-5-11(9)14-8-2-1-7(3-8)13(10)14;3*1-10-11(2,3)9-7-5-4-6-8-9;;;;;;/h7-13,23H,1-6H2;8-14,20H,2-7H2,1H3;7-14,19H,1-6H2;3*4-8H,1-3H3;6*1H4
InChIKeyKWSIZRGLNOWBJQ-UHFFFAOYSA-N
XLogP21.23
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001500.15
LogP ≤ 521.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol (CID 159262786) is 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol is C.C.C.C.C.C.CC(O)(CC1CC2CC1C1C3CCC(C3)C21)C(F)(F)F.CO[Si](C)(C)c1ccccc1.CO[Si](C)(C)c1ccccc1.CO[Si](C)(C)c1ccccc1.OC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F.OC(CC1CC2CC1C1C3CCC(C3)C21)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
The InChIKey is KWSIZRGLNOWBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F6O.C16H23F3O.C15H21F3O.3C9H14OSi.6CH4/c17-15(18,19)14(23,16(20,21)22)6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13;1-15(20,16(17,18)19)7-11-5-10-6-12(11)14-9-3-2-8(4-9)13(10)14;16-15(17,18)12(19)6-9-4-10-5-11(9)14-8-2-1-7(3-8)13(10)14;3*1-10-11(2,3)9-7-5-4-6-8-9;;;;;;/h7-13,23H,1-6H2;8-14,20H,2-7H2,1H3;7-14,19H,1-6H2;3*4-8H,1-3H3;6*1H4.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol has a molecular weight of 1500.15 g/mol, XLogP of 21.23, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;methane;tris(methoxy-dimethyl-phenylsilane);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol;1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol is sourced from PubChem (CID 159262786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).