2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethanol

C13H11F3O — CID 4095172

IUPAC2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethanol
SMILESCc1ccc(C(O)C(F)(F)F)c2ccccc12
InChIInChI=1S/C13H11F3O/c1-8-6-7-11(12(17)13(14,15)16)10-5-3-2-4-9(8)10/h2-7,12,17H,1H3
InChIKeyQNVIAKKWLVBUJV-UHFFFAOYSA-N
MW240.22 g/mol
LogP3.74
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethanol

2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethanol (PubChem CID 4095172) has the molecular formula C13H11F3O and a molecular weight of 240.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethanol
PubChem CID4095172
Molecular FormulaC13H11F3O
Molecular Weight240.22 g/mol
Exact Mass240.08
IUPAC Name2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethanol
SMILESCc1ccc(C(O)C(F)(F)F)c2ccccc12
InChIInChI=1S/C13H11F3O/c1-8-6-7-11(12(17)13(14,15)16)10-5-3-2-4-9(8)10/h2-7,12,17H,1H3
InChIKeyQNVIAKKWLVBUJV-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
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-(4-methylnaphthalen-1-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethanol (CID 4095172) is 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethanol is Cc1ccc(C(O)C(F)(F)F)c2ccccc12.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethanol?
The InChIKey is QNVIAKKWLVBUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O/c1-8-6-7-11(12(17)13(14,15)16)10-5-3-2-4-9(8)10/h2-7,12,17H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethanol?
2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethanol has a molecular weight of 240.22 g/mol, XLogP of 3.74, 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-(4-methylnaphthalen-1-yl)ethanol is sourced from PubChem (CID 4095172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).