2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol

C11H13F3O2 — CID 103448986

IUPAC2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol
SMILESCC(C)(O)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-10(2,16)9(15)7-5-3-4-6-8(7)11(12,13)14/h3-6,9,15-16H,1-2H3
InChIKeyCMEDHPGJGVGDLV-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.51
Rot. Bonds2

About 2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol

2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol (PubChem CID 103448986) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol
PubChem CID103448986
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol
SMILESCC(C)(O)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-10(2,16)9(15)7-5-3-4-6-8(7)11(12,13)14/h3-6,9,15-16H,1-2H3
InChIKeyCMEDHPGJGVGDLV-UHFFFAOYSA-N
XLogP2.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 115795993
2,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 115795995
2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 116752097
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
(1R,2S)-1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-ol;hydrochloride
CID 171160420
1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol
CID 103449136
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409
1-(1-bromoethyl)-2-(trifluoromethyl)benzene
CID 2775621
(2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 61101273
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 114330011

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol?
The IUPAC name of 2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol (CID 103448986) is 2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol is CC(C)(O)C(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol?
The InChIKey is CMEDHPGJGVGDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-10(2,16)9(15)7-5-3-4-6-8(7)11(12,13)14/h3-6,9,15-16H,1-2H3.
What are the key properties of 2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol?
2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol has a molecular weight of 234.22 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol is sourced from PubChem (CID 103448986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).