2,2,2-trifluoro-1-naphthalen-2-ylethanol

C12H9F3O — CID 3765592

IUPAC2,2,2-trifluoro-1-naphthalen-2-ylethanol
SMILESOC(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C12H9F3O/c13-12(14,15)11(16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11,16H
InChIKeyMLTCXWGPOGVAPM-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.44
Rot. Bonds1

About 2,2,2-trifluoro-1-naphthalen-2-ylethanol

2,2,2-trifluoro-1-naphthalen-2-ylethanol (PubChem CID 3765592) has the molecular formula C12H9F3O and a molecular weight of 226.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-naphthalen-2-ylethanol
PubChem CID3765592
Molecular FormulaC12H9F3O
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name2,2,2-trifluoro-1-naphthalen-2-ylethanol
SMILESOC(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C12H9F3O/c13-12(14,15)11(16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11,16H
InChIKeyMLTCXWGPOGVAPM-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-naphthalen-2-ylethanol?
The IUPAC name of 2,2,2-trifluoro-1-naphthalen-2-ylethanol (CID 3765592) is 2,2,2-trifluoro-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-naphthalen-2-ylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-naphthalen-2-ylethanol is OC(c1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-naphthalen-2-ylethanol?
The InChIKey is MLTCXWGPOGVAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O/c13-12(14,15)11(16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11,16H.
What are the key properties of 2,2,2-trifluoro-1-naphthalen-2-ylethanol?
2,2,2-trifluoro-1-naphthalen-2-ylethanol has a molecular weight of 226.20 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-naphthalen-2-ylethanol is sourced from PubChem (CID 3765592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).