5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol

C15H24F6O — CID 123179402

IUPAC5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol
SMILESCC(C)(C)CC(C=CC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H24F6O/c1-11(2,3)9-10(12(4,5)6)7-8-13(22,14(16,17)18)15(19,20)21/h7-8,10,22H,9H2,1-6H3
InChIKeyPOQFDABNDJVTNG-UHFFFAOYSA-N
MW334.34 g/mol
LogP5.50
Rot. Bonds3

About 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol

5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol (PubChem CID 123179402) has the molecular formula C15H24F6O and a molecular weight of 334.34 g/mol. Its IUPAC name is 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol.

Molecular Properties

Compound Name5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol
PubChem CID123179402
Molecular FormulaC15H24F6O
Molecular Weight334.34 g/mol
Exact Mass334.17
IUPAC Name5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol
SMILESCC(C)(C)CC(C=CC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H24F6O/c1-11(2,3)9-10(12(4,5)6)7-8-13(22,14(16,17)18)15(19,20)21/h7-8,10,22H,9H2,1-6H3
InChIKeyPOQFDABNDJVTNG-UHFFFAOYSA-N
XLogP5.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol
CID 22451075
(E,3S)-1,1,1-trifluoro-3,7,8,8-tetramethyl-2-(trifluoromethyl)non-5-en-2-ol
CID 89150430
Ethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol
CID 91062180
4-[1,1,1,3,3,3-Hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol
CID 118123833
6-Tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol
CID 123256435
(Z)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol
CID 141012193
(3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol
CID 141012781
(E)-4-[2-tert-butyl-3-(2,2-dimethylpropyl)cyclopropyl]-1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol
CID 148183477
(3E,7Z)-4-fluoro-5,6-dimethyl-6-(trifluoromethyl)deca-3,7-dien-5-ol
CID 167057990
(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)non-3-en-2-ol
CID 142231665
(Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol
CID 143026068
1-Tert-butyl-4-(trifluoromethyl)cyclohex-2-en-1-ol
CID 165787505

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol?
The IUPAC name of 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol (CID 123179402) is 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol.
What is the SMILES notation for 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol?
The canonical SMILES for 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol is CC(C)(C)CC(C=CC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol?
The InChIKey is POQFDABNDJVTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6O/c1-11(2,3)9-10(12(4,5)6)7-8-13(22,14(16,17)18)15(19,20)21/h7-8,10,22H,9H2,1-6H3.
What are the key properties of 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol?
5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol has a molecular weight of 334.34 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol is sourced from PubChem (CID 123179402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).