3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol

C13H11F3O — CID 55115850

IUPAC3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol
SMILESOC(CC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C13H11F3O/c14-13(15,16)8-12(17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,17H,8H2
InChIKeyJMSJTAVEBLJIIH-UHFFFAOYSA-N
MW240.22 g/mol
LogP3.83
Rot. Bonds2

About 3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol

3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol (PubChem CID 55115850) has the molecular formula C13H11F3O and a molecular weight of 240.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol
PubChem CID55115850
Molecular FormulaC13H11F3O
Molecular Weight240.22 g/mol
Exact Mass240.08
IUPAC Name3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol
SMILESOC(CC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C13H11F3O/c14-13(15,16)8-12(17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,17H,8H2
InChIKeyJMSJTAVEBLJIIH-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
CID 64565521
(1R)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 92981235
(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 54591246
1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol
CID 82783054
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
naphthalen-2-ylmethanediol
CID 22496827
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
CID 61167220

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol (CID 55115850) is 3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol is OC(CC(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol?
The InChIKey is JMSJTAVEBLJIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O/c14-13(15,16)8-12(17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,17H,8H2.
What are the key properties of 3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol?
3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol has a molecular weight of 240.22 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 55115850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).