2,6-bis(1,1,1-trifluoropropan-2-yl)phenol

C12H12F6O — CID 24760546

IUPAC2,6-bis(1,1,1-trifluoropropan-2-yl)phenol
SMILESCC(c1cccc(C(C)C(F)(F)F)c1O)C(F)(F)F
InChIInChI=1S/C12H12F6O/c1-6(11(13,14)15)8-4-3-5-9(10(8)19)7(2)12(16,17)18/h3-7,19H,1-2H3
InChIKeyYOYQGSKNLYGWOJ-UHFFFAOYSA-N
MW286.22 g/mol
LogP4.72
Rot. Bonds2

About 2,6-bis(1,1,1-trifluoropropan-2-yl)phenol

2,6-bis(1,1,1-trifluoropropan-2-yl)phenol (PubChem CID 24760546) has the molecular formula C12H12F6O and a molecular weight of 286.22 g/mol. Its IUPAC name is 2,6-bis(1,1,1-trifluoropropan-2-yl)phenol.

Molecular Properties

Compound Name2,6-bis(1,1,1-trifluoropropan-2-yl)phenol
PubChem CID24760546
Molecular FormulaC12H12F6O
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name2,6-bis(1,1,1-trifluoropropan-2-yl)phenol
SMILESCC(c1cccc(C(C)C(F)(F)F)c1O)C(F)(F)F
InChIInChI=1S/C12H12F6O/c1-6(11(13,14)15)8-4-3-5-9(10(8)19)7(2)12(16,17)18/h3-7,19H,1-2H3
InChIKeyYOYQGSKNLYGWOJ-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-di(propan-2-yl)phenol;silver
CID 174803720
2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
CID 140800245
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
1-[2-methyl-3-(1,1,1-trifluoropropan-2-yl)phenyl]ethanimine
CID 146258533
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
2-[2-(1,1,1-trifluoropropan-2-yl)phenyl]ethanamine
CID 115029972
2-butan-2-yl-6-(trifluoromethyl)phenol
CID 10214490
2-[(1S)-1-aminoethyl]-6-(trifluoromethoxy)phenol;hydrochloride
CID 171255504
tris(cyclopentane);tris(2,6-di(propan-2-yl)phenol);sulfanide;titanium;titanium(3+)
CID 23228869
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-6-fluorophenol;hydrochloride
CID 171245844
2,6-di(propan-2-yl)phenol;phenyliminomolybdenum
CID 175693069

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1,1,1-trifluoropropan-2-yl)phenol?
The IUPAC name of 2,6-bis(1,1,1-trifluoropropan-2-yl)phenol (CID 24760546) is 2,6-bis(1,1,1-trifluoropropan-2-yl)phenol.
What is the SMILES notation for 2,6-bis(1,1,1-trifluoropropan-2-yl)phenol?
The canonical SMILES for 2,6-bis(1,1,1-trifluoropropan-2-yl)phenol is CC(c1cccc(C(C)C(F)(F)F)c1O)C(F)(F)F.
What is the InChIKey of 2,6-bis(1,1,1-trifluoropropan-2-yl)phenol?
The InChIKey is YOYQGSKNLYGWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6O/c1-6(11(13,14)15)8-4-3-5-9(10(8)19)7(2)12(16,17)18/h3-7,19H,1-2H3.
What are the key properties of 2,6-bis(1,1,1-trifluoropropan-2-yl)phenol?
2,6-bis(1,1,1-trifluoropropan-2-yl)phenol has a molecular weight of 286.22 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1,1,1-trifluoropropan-2-yl)phenol is sourced from PubChem (CID 24760546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).