1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol

C12H15F3O2 — CID 23570047

IUPAC1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(C(C)(O)C(F)(F)F)c1
InChIInChI=1S/C12H15F3O2/c1-10(2,16)8-5-4-6-9(7-8)11(3,17)12(13,14)15/h4-7,16-17H,1-3H3
InChIKeyWYSROXQOVVQLDE-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.68
Rot. Bonds2

About 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol

1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol (PubChem CID 23570047) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
PubChem CID23570047
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(C(C)(O)C(F)(F)F)c1
InChIInChI=1S/C12H15F3O2/c1-10(2,16)8-5-4-6-9(7-8)11(3,17)12(13,14)15/h4-7,16-17H,1-3H3
InChIKeyWYSROXQOVVQLDE-UHFFFAOYSA-N
XLogP2.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol
CID 89211813
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
2-(3-ethenylphenyl)-1,1,1-trifluoropropan-2-ol
CID 20743972
1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23528246
1,1,1-trifluoro-2-[3-(1-methylcyclopropyl)phenyl]propan-2-ol
CID 162620604
2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol
CID 117310696
1,2,2,2-tetrafluoro-1-[3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)phenyl]ethanol
CID 140557500
2-[3-(fluoromethyl)phenyl]propan-2-ol
CID 12844398
3,3-dimethyl-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302780
1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 2748409
(2R)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 7053126
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol (CID 23570047) is 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol is CC(C)(O)c1cccc(C(C)(O)C(F)(F)F)c1.
What is the InChIKey of 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The InChIKey is WYSROXQOVVQLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-10(2,16)8-5-4-6-9(7-8)11(3,17)12(13,14)15/h4-7,16-17H,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol has a molecular weight of 248.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 23570047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).