1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone

C20H15F3O2 — CID 143253149

IUPAC1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H15F3O2/c1-13(24)17-11-8-15-4-2-3-5-18(15)19(17)25-12-14-6-9-16(10-7-14)20(21,22)23/h2-11H,12H2,1H3
InChIKeyAKSJHSVTAFKLKC-UHFFFAOYSA-N
MW344.33 g/mol
LogP5.64
Rot. Bonds4

About 1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone

1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone (PubChem CID 143253149) has the molecular formula C20H15F3O2 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone
PubChem CID143253149
Molecular FormulaC20H15F3O2
Molecular Weight344.33 g/mol
Exact Mass344.10
IUPAC Name1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H15F3O2/c1-13(24)17-11-8-15-4-2-3-5-18(15)19(17)25-12-14-6-9-16(10-7-14)20(21,22)23/h2-11H,12H2,1H3
InChIKeyAKSJHSVTAFKLKC-UHFFFAOYSA-N
XLogP5.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.33
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone?
The IUPAC name of 1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone (CID 143253149) is 1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone is CC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone?
The InChIKey is AKSJHSVTAFKLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O2/c1-13(24)17-11-8-15-4-2-3-5-18(15)19(17)25-12-14-6-9-16(10-7-14)20(21,22)23/h2-11H,12H2,1H3.
What are the key properties of 1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone?
1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone has a molecular weight of 344.33 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone is sourced from PubChem (CID 143253149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).