4-tert-butyl-2-(trifluoromethyl)phenol

C11H13F3O — CID 12652102

IUPAC4-tert-butyl-2-(trifluoromethyl)phenol
SMILESCC(C)(C)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F3O/c1-10(2,3)7-4-5-9(15)8(6-7)11(12,13)14/h4-6,15H,1-3H3
InChIKeyXZPXTHKHQONIKU-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.71
Rot. Bonds

About 4-tert-butyl-2-(trifluoromethyl)phenol

4-tert-butyl-2-(trifluoromethyl)phenol (PubChem CID 12652102) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-tert-butyl-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-(trifluoromethyl)phenol
PubChem CID12652102
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name4-tert-butyl-2-(trifluoromethyl)phenol
SMILESCC(C)(C)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F3O/c1-10(2,3)7-4-5-9(15)8(6-7)11(12,13)14/h4-6,15H,1-3H3
InChIKeyXZPXTHKHQONIKU-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
CID 142766512
4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol
CID 70581973
4-tert-butyl-2-fluorophenol
CID 11062790
2-tert-butyl-4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenol
CID 143986537
4-[2-[4-[2-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
CID 126486207
2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
CID 21466577
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036
4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol
CID 90829503
4-tert-butyl-1-(3,3-dimethylbutyl)-2-(trifluoromethyl)benzene
CID 168747742
ethane;2-(trifluoromethyl)phenol
CID 142291947
4-isocyano-2-(trifluoromethyl)phenol
CID 59260139
4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene
CID 70832667

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(trifluoromethyl)phenol?
The IUPAC name of 4-tert-butyl-2-(trifluoromethyl)phenol (CID 12652102) is 4-tert-butyl-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-tert-butyl-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-tert-butyl-2-(trifluoromethyl)phenol is CC(C)(C)c1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of 4-tert-butyl-2-(trifluoromethyl)phenol?
The InChIKey is XZPXTHKHQONIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-10(2,3)7-4-5-9(15)8(6-7)11(12,13)14/h4-6,15H,1-3H3.
What are the key properties of 4-tert-butyl-2-(trifluoromethyl)phenol?
4-tert-butyl-2-(trifluoromethyl)phenol has a molecular weight of 218.22 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(trifluoromethyl)phenol is sourced from PubChem (CID 12652102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).