2-butan-2-yl-6-(trifluoromethyl)phenol

C11H13F3O — CID 10214490

IUPAC2-butan-2-yl-6-(trifluoromethyl)phenol
SMILESCCC(C)c1cccc(C(F)(F)F)c1O
InChIInChI=1S/C11H13F3O/c1-3-7(2)8-5-4-6-9(10(8)15)11(12,13)14/h4-7,15H,3H2,1-2H3
InChIKeyZJLMJBKQIRRSAI-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.92
Rot. Bonds2

About 2-butan-2-yl-6-(trifluoromethyl)phenol

2-butan-2-yl-6-(trifluoromethyl)phenol (PubChem CID 10214490) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-butan-2-yl-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-butan-2-yl-6-(trifluoromethyl)phenol
PubChem CID10214490
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name2-butan-2-yl-6-(trifluoromethyl)phenol
SMILESCCC(C)c1cccc(C(F)(F)F)c1O
InChIInChI=1S/C11H13F3O/c1-3-7(2)8-5-4-6-9(10(8)15)11(12,13)14/h4-7,15H,3H2,1-2H3
InChIKeyZJLMJBKQIRRSAI-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-hydroxy-3-(trifluoromethyl)phenyl]butanoic acid
CID 84706479
2-butan-2-yl-1,3-bis(trifluoromethyl)benzene
CID 20823616
2-amino-6-butan-2-ylphenol
CID 14993637
2-butan-2-yl-6-iodophenol
CID 11242844
2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol
CID 66514473
2-(2-hydroxypropyl)-6-(trifluoromethyl)phenol
CID 117313740
2-[(1S)-1,2-diaminoethyl]-6-(trifluoromethyl)phenol
CID 66517650
2-butan-2-yl-6-[2-[2-(1-hydroxyethyl)-4-methylphenyl]phosphanylbutan-2-yl]phenol
CID 71040018
3-butan-2-yl-2-hydroxybenzonitrile
CID 67236185
1-[2,3-bis(trifluoromethyl)phenyl]propan-1-ol
CID 139965745
2-[(2R)-butan-2-yl]-1-chloro-3-(trifluoromethyl)benzene
CID 131992955
benzene;2,3-di(butan-2-yl)phenol
CID 67178643

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-(trifluoromethyl)phenol?
The IUPAC name of 2-butan-2-yl-6-(trifluoromethyl)phenol (CID 10214490) is 2-butan-2-yl-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-butan-2-yl-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-butan-2-yl-6-(trifluoromethyl)phenol is CCC(C)c1cccc(C(F)(F)F)c1O.
What is the InChIKey of 2-butan-2-yl-6-(trifluoromethyl)phenol?
The InChIKey is ZJLMJBKQIRRSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-3-7(2)8-5-4-6-9(10(8)15)11(12,13)14/h4-7,15H,3H2,1-2H3.
What are the key properties of 2-butan-2-yl-6-(trifluoromethyl)phenol?
2-butan-2-yl-6-(trifluoromethyl)phenol has a molecular weight of 218.22 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-(trifluoromethyl)phenol is sourced from PubChem (CID 10214490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).