(2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol

C13H11F3O — CID 25129230

IUPAC(2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol
SMILESC[C@@](O)(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C13H11F3O/c1-12(17,13(14,15)16)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,17H,1H3/t12-/m1/s1
InChIKeyMGGPNTBEWITGIJ-GFCCVEGCSA-N
MW240.22 g/mol
LogP3.61
Rot. Bonds1

About (2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol

(2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol (PubChem CID 25129230) has the molecular formula C13H11F3O and a molecular weight of 240.22 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol
PubChem CID25129230
Molecular FormulaC13H11F3O
Molecular Weight240.22 g/mol
Exact Mass240.08
IUPAC Name(2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol
SMILESC[C@@](O)(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C13H11F3O/c1-12(17,13(14,15)16)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,17H,1H3/t12-/m1/s1
InChIKeyMGGPNTBEWITGIJ-GFCCVEGCSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol (CID 25129230) is (2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol is C[C@@](O)(c1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol?
The InChIKey is MGGPNTBEWITGIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H11F3O/c1-12(17,13(14,15)16)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,17H,1H3/t12-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol?
(2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol has a molecular weight of 240.22 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-2-naphthalen-2-ylpropan-2-ol is sourced from PubChem (CID 25129230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).