3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol

C13H17F3O2 — CID 113302790

IUPAC3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
SMILESCC(C)(C)C(C)(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H17F3O2/c1-11(2,3)12(4,17)9-7-5-6-8-10(9)18-13(14,15)16/h5-8,17H,1-4H3
InChIKeyQWZCCRSEMWRSHG-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.84
Rot. Bonds2

About 3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol

3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol (PubChem CID 113302790) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
PubChem CID113302790
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
SMILESCC(C)(C)C(C)(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H17F3O2/c1-11(2,3)12(4,17)9-7-5-6-8-10(9)18-13(14,15)16/h5-8,17H,1-4H3
InChIKeyQWZCCRSEMWRSHG-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787433
4-[2-(trifluoromethoxy)phenyl]heptan-4-ol
CID 114866167
1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 114794872
2-[2-(trifluoromethoxy)phenyl]heptan-2-ol
CID 80557865
1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787438
1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 115467220
4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
CID 66002654
2-hydroxy-2-phenyl-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 139932194
1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene
CID 118334273
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol?
The IUPAC name of 3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol (CID 113302790) is 3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol?
The canonical SMILES for 3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol is CC(C)(C)C(C)(O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol?
The InChIKey is QWZCCRSEMWRSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O2/c1-11(2,3)12(4,17)9-7-5-6-8-10(9)18-13(14,15)16/h5-8,17H,1-4H3.
What are the key properties of 3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol?
3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol has a molecular weight of 262.27 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol is sourced from PubChem (CID 113302790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).