2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol

C15H23F3O — CID 23130077

IUPAC2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol
SMILESCC(C)(C)C1=CC(C(C)(C)C)(C(F)(F)F)C=CC1O
InChIInChI=1S/C15H23F3O/c1-12(2,3)10-9-14(13(4,5)6,15(16,17)18)8-7-11(10)19/h7-9,11,19H,1-6H3
InChIKeyYJPFYBUUTXUMEI-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.48
Rot. Bonds

About 2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol

2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol (PubChem CID 23130077) has the molecular formula C15H23F3O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol
PubChem CID23130077
Molecular FormulaC15H23F3O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol
SMILESCC(C)(C)C1=CC(C(C)(C)C)(C(F)(F)F)C=CC1O
InChIInChI=1S/C15H23F3O/c1-12(2,3)10-9-14(13(4,5)6,15(16,17)18)8-7-11(10)19/h7-9,11,19H,1-6H3
InChIKeyYJPFYBUUTXUMEI-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol?
The IUPAC name of 2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol (CID 23130077) is 2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol?
The canonical SMILES for 2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol is CC(C)(C)C1=CC(C(C)(C)C)(C(F)(F)F)C=CC1O.
What is the InChIKey of 2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol?
The InChIKey is YJPFYBUUTXUMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O/c1-12(2,3)10-9-14(13(4,5)6,15(16,17)18)8-7-11(10)19/h7-9,11,19H,1-6H3.
What are the key properties of 2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol?
2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol has a molecular weight of 276.34 g/mol, XLogP of 4.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 23130077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).