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

C17H23F5OY — CID 59042277

IUPAC2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3-pentafluoropropan-2-ol;yttrium
SMILESCC1C(C)C2CC1C1C3CC(C21)C(C(O)(C(F)F)C(F)(F)F)C3.[Y]
InChIInChI=1S/C17H23F5O.Y/c1-6-7(2)10-5-9(6)13-8-3-11(14(10)13)12(4-8)16(23,15(18)19)17(20,21)22;/h6-15,23H,3-5H2,1-2H3;
InChIKeySRFQQPRYQXQSEL-UHFFFAOYSA-N
MW427.27 g/mol
LogP4.35
Rot. Bonds2

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

2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3-pentafluoropropan-2-ol;yttrium (PubChem CID 59042277) has the molecular formula C17H23F5OY and a molecular weight of 427.27 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-pentafluoropropan-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-pentafluoropropan-2-ol;yttrium
PubChem CID59042277
Molecular FormulaC17H23F5OY
Molecular Weight427.27 g/mol
Exact Mass427.07
IUPAC Name2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3-pentafluoropropan-2-ol;yttrium
SMILESCC1C(C)C2CC1C1C3CC(C21)C(C(O)(C(F)F)C(F)(F)F)C3.[Y]
InChIInChI=1S/C17H23F5O.Y/c1-6-7(2)10-5-9(6)13-8-3-11(14(10)13)12(4-8)16(23,15(18)19)17(20,21)22;/h6-15,23H,3-5H2,1-2H3;
InChIKeySRFQQPRYQXQSEL-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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-pentafluoropropan-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-pentafluoropropan-2-ol;yttrium (CID 59042277) is 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3-pentafluoropropan-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-pentafluoropropan-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-pentafluoropropan-2-ol;yttrium is CC1C(C)C2CC1C1C3CC(C21)C(C(O)(C(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-pentafluoropropan-2-ol;yttrium?
The InChIKey is SRFQQPRYQXQSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F5O.Y/c1-6-7(2)10-5-9(6)13-8-3-11(14(10)13)12(4-8)16(23,15(18)19)17(20,21)22;/h6-15,23H,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-pentafluoropropan-2-ol;yttrium?
2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3-pentafluoropropan-2-ol;yttrium has a molecular weight of 427.27 g/mol, XLogP of 4.35, 2 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-pentafluoropropan-2-ol;yttrium is sourced from PubChem (CID 59042277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).