1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol

C15H21F3O — CID 22976673

IUPAC1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol
SMILESOC(CC1CC2CC1C1C3CCC(C3)C21)C(F)(F)F
InChIInChI=1S/C15H21F3O/c16-15(17,18)12(19)6-9-4-10-5-11(9)14-8-2-1-7(3-8)13(10)14/h7-14,19H,1-6H2
InChIKeyUSPTVZWKDOTKSR-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.62
Rot. Bonds2

About 1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol

1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol (PubChem CID 22976673) has the molecular formula C15H21F3O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol
PubChem CID22976673
Molecular FormulaC15H21F3O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol
SMILESOC(CC1CC2CC1C1C3CCC(C3)C21)C(F)(F)F
InChIInChI=1S/C15H21F3O/c16-15(17,18)12(19)6-9-4-10-5-11(9)14-8-2-1-7(3-8)13(10)14/h7-14,19H,1-6H2
InChIKeyUSPTVZWKDOTKSR-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.62
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 1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol (CID 22976673) is 1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol is OC(CC1CC2CC1C1C3CCC(C3)C21)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
The InChIKey is USPTVZWKDOTKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O/c16-15(17,18)12(19)6-9-4-10-5-11(9)14-8-2-1-7(3-8)13(10)14/h7-14,19H,1-6H2.
What are the key properties of 1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol has a molecular weight of 274.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol is sourced from PubChem (CID 22976673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).