1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol

C11H13F3O — CID 66466095

IUPAC1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol
SMILESCC(C)(c1ccccc1)C(O)C(F)(F)F
InChIInChI=1S/C11H13F3O/c1-10(2,9(15)11(12,13)14)8-6-4-3-5-7-8/h3-7,9,15H,1-2H3
InChIKeyXZILUZJKXAMLBD-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.89
Rot. Bonds2

About 1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol

1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol (PubChem CID 66466095) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol
PubChem CID66466095
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol
SMILESCC(C)(c1ccccc1)C(O)C(F)(F)F
InChIInChI=1S/C11H13F3O/c1-10(2,9(15)11(12,13)14)8-6-4-3-5-7-8/h3-7,9,15H,1-2H3
InChIKeyXZILUZJKXAMLBD-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol
CID 10708008
bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol
CID 161340983
2,4-dimethyl-2-phenyl(313C)pentan-3-ol
CID 12036606
(3-fluoro-2-methylbutan-2-yl)benzene
CID 69013653
1,1-difluoro-1-phenylpropan-2-ol
CID 23235127
2,4-dimethyl-4-phenylpent-1-en-3-ol
CID 115817266
1-(2-fluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 55180552
1,1-difluoroethylbenzene
CID 10942535
1-(2,3-difluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 63989633
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene
CID 22506486
1-phenylpropan-1-ol;2-phenylpropan-2-ol
CID 174769511
(1-hydroxy-2-methyl-2-phenylpropyl) acetate
CID 22355072

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol (CID 66466095) is 1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol is CC(C)(c1ccccc1)C(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol?
The InChIKey is XZILUZJKXAMLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-10(2,9(15)11(12,13)14)8-6-4-3-5-7-8/h3-7,9,15H,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol?
1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol has a molecular weight of 218.22 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol is sourced from PubChem (CID 66466095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).