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

C18H24F6O — CID 23520699

IUPAC2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1C(C)C2CC1C1C3CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C3)C21
InChIInChI=1S/C18H24F6O/c1-7-8(2)12-5-11(7)14-9-3-10(13(4-9)15(12)14)6-16(25,17(19,20)21)18(22,23)24/h7-15,25H,3-6H2,1-2H3
InChIKeyXXSGLFVJAASPTG-UHFFFAOYSA-N
MW370.38 g/mol
LogP5.04
Rot. Bonds2

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

2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 23520699) has the molecular formula C18H24F6O and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-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)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID23520699
Molecular FormulaC18H24F6O
Molecular Weight370.38 g/mol
Exact Mass370.17
IUPAC Name2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1C(C)C2CC1C1C3CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C3)C21
InChIInChI=1S/C18H24F6O/c1-7-8(2)12-5-11(7)14-9-3-10(13(4-9)15(12)14)6-16(25,17(19,20)21)18(22,23)24/h7-15,25H,3-6H2,1-2H3
InChIKeyXXSGLFVJAASPTG-UHFFFAOYSA-N
XLogP5.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.38
LogP ≤ 55.04
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)methyl]-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)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 23520699) is 2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-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)methyl]-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)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CC1C(C)C2CC1C1C3CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C3)C21.
What is the InChIKey of 2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is XXSGLFVJAASPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F6O/c1-7-8(2)12-5-11(7)14-9-3-10(13(4-9)15(12)14)6-16(25,17(19,20)21)18(22,23)24/h7-15,25H,3-6H2,1-2H3.
What are the key properties of 2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 370.38 g/mol, XLogP of 5.04, 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)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 23520699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).