2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium

C17H22F6OY — CID 20759716

IUPAC2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
SMILESCC1C(C)C2CC1C1C3CC(C21)C(C(O)(C(F)(F)F)C(F)(F)F)C3.[Y]
InChIInChI=1S/C17H22F6O.Y/c1-6-7(2)10-5-9(6)13-8-3-11(14(10)13)12(4-8)15(24,16(18,19)20)17(21,22)23;/h6-14,24H,3-5H2,1-2H3;
InChIKeyOEBURALTUFYMJB-UHFFFAOYSA-N
MW445.26 g/mol
LogP4.65
Rot. Bonds1

About 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium

2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium (PubChem CID 20759716) has the molecular formula C17H22F6OY and a molecular weight of 445.26 g/mol. Its IUPAC name is 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium.

Molecular Properties

Compound Name2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
PubChem CID20759716
Molecular FormulaC17H22F6OY
Molecular Weight445.26 g/mol
Exact Mass445.06
IUPAC Name2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
SMILESCC1C(C)C2CC1C1C3CC(C21)C(C(O)(C(F)(F)F)C(F)(F)F)C3.[Y]
InChIInChI=1S/C17H22F6O.Y/c1-6-7(2)10-5-9(6)13-8-3-11(14(10)13)12(4-8)15(24,16(18,19)20)17(21,22)23;/h6-14,24H,3-5H2,1-2H3;
InChIKeyOEBURALTUFYMJB-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.26
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol
CID 20743949
1,1,1,3,3,3-Hexafluoro-2-(4,5,5-trifluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol
CID 20743952
2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
CID 20759706
2-(9,10-Dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20759717
Carbanide;2-[(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium
CID 20759721
2-[(4,5-Dimethyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20771584
4,5-Dimethyl-9-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane
CID 20771587
4-[3,3,3-Trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane
CID 20771670
1,1,1,3,3,3-Hexafluoro-2-[[5-methyl-6-[3-methyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-ol
CID 21020794
1-(9,10-Dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-2,2,2-trifluoroethanol
CID 21049825
9,10-Dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 21301228
2-[[6-(2,2-Difluorobutyl)-5-ethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 22887504

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?
The IUPAC name of 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium (CID 20759716) is 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium.
What is the SMILES notation for 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?
The canonical SMILES for 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium is CC1C(C)C2CC1C1C3CC(C21)C(C(O)(C(F)(F)F)C(F)(F)F)C3.[Y].
What is the InChIKey of 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?
The InChIKey is OEBURALTUFYMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F6O.Y/c1-6-7(2)10-5-9(6)13-8-3-11(14(10)13)12(4-8)15(24,16(18,19)20)17(21,22)23;/h6-14,24H,3-5H2,1-2H3;.
What are the key properties of 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium?
2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium has a molecular weight of 445.26 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;yttrium is sourced from PubChem (CID 20759716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).