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

C17H22F6O — CID 20759717

IUPAC2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1C(C)C2CC1C1C3CC(C21)C(C(O)(C(F)(F)F)C(F)(F)F)C3
InChIInChI=1S/C17H22F6O/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
InChIKeyRWBCVQAPTSWWTQ-UHFFFAOYSA-N
MW356.35 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

2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 20759717) has the molecular formula C17H22F6O and a molecular weight of 356.35 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.

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
PubChem CID20759717
Molecular FormulaC17H22F6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1C(C)C2CC1C1C3CC(C21)C(C(O)(C(F)(F)F)C(F)(F)F)C3
InChIInChI=1S/C17H22F6O/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
InChIKeyRWBCVQAPTSWWTQ-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
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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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?
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 (CID 20759717) is 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
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?
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 is CC1C(C)C2CC1C1C3CC(C21)C(C(O)(C(F)(F)F)C(F)(F)F)C3.
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?
The InChIKey is RWBCVQAPTSWWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F6O/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?
2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 356.35 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 is sourced from PubChem (CID 20759717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).