9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol

C15H21F3O — CID 21301228

IUPAC9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
SMILESCC1C(C)C2CC1C1C3CC(C21)C(O)(C(F)(F)F)C3
InChIInChI=1S/C15H21F3O/c1-6-7(2)10-4-9(6)12-8-3-11(13(10)12)14(19,5-8)15(16,17)18/h6-13,19H,3-5H2,1-2H3
InChIKeyVJNGFFMCWPURCA-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.47
Rot. Bonds

About 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol

9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol (PubChem CID 21301228) has the molecular formula C15H21F3O and a molecular weight of 274.33 g/mol. Its IUPAC name is 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol.

Molecular Properties

Compound Name9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
PubChem CID21301228
Molecular FormulaC15H21F3O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
SMILESCC1C(C)C2CC1C1C3CC(C21)C(O)(C(F)(F)F)C3
InChIInChI=1S/C15H21F3O/c1-6-7(2)10-4-9(6)12-8-3-11(13(10)12)14(19,5-8)15(16,17)18/h6-13,19H,3-5H2,1-2H3
InChIKeyVJNGFFMCWPURCA-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.47
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 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
The IUPAC name of 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol (CID 21301228) is 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol.
What is the SMILES notation for 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
The canonical SMILES for 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol is CC1C(C)C2CC1C1C3CC(C21)C(O)(C(F)(F)F)C3.
What is the InChIKey of 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
The InChIKey is VJNGFFMCWPURCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O/c1-6-7(2)10-4-9(6)12-8-3-11(13(10)12)14(19,5-8)15(16,17)18/h6-13,19H,3-5H2,1-2H3.
What are the key properties of 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol has a molecular weight of 274.33 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol is sourced from PubChem (CID 21301228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).