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

C15H23F3O — CID 67945072

IUPAC1,2-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1=CC(C(F)(F)F)=CCC1(O)C(C)(C)C
InChIInChI=1S/C15H23F3O/c1-12(2,3)11-9-10(15(16,17)18)7-8-14(11,19)13(4,5)6/h7,9,19H,8H2,1-6H3
InChIKeyMVTORITZGGGCJM-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.63
Rot. Bonds

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

1,2-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 67945072) has the molecular formula C15H23F3O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,2-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
PubChem CID67945072
Molecular FormulaC15H23F3O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1,2-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1=CC(C(F)(F)F)=CCC1(O)C(C)(C)C
InChIInChI=1S/C15H23F3O/c1-12(2,3)11-9-10(15(16,17)18)7-8-14(11,19)13(4,5)6/h7,9,19H,8H2,1-6H3
InChIKeyMVTORITZGGGCJM-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,2-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (CID 67945072) is 1,2-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,2-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,2-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is CC(C)(C)C1=CC(C(F)(F)F)=CCC1(O)C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is MVTORITZGGGCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O/c1-12(2,3)11-9-10(15(16,17)18)7-8-14(11,19)13(4,5)6/h7,9,19H,8H2,1-6H3.
What are the key properties of 1,2-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
1,2-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 276.34 g/mol, XLogP of 4.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67945072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).