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

C19H13F3O — CID 154014777

IUPAC1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H13F3O/c20-19(21,22)17-9-5-13(6-10-17)11-18(23)16-8-7-14-3-1-2-4-15(14)12-16/h1-10,12H,11H2
InChIKeyUJROCOBXWSEMLQ-UHFFFAOYSA-N
MW314.31 g/mol
LogP5.28
Rot. Bonds3

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

1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 154014777) has the molecular formula C19H13F3O and a molecular weight of 314.31 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID154014777
Molecular FormulaC19H13F3O
Molecular Weight314.31 g/mol
Exact Mass314.09
IUPAC Name1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H13F3O/c20-19(21,22)17-9-5-13(6-10-17)11-18(23)16-8-7-14-3-1-2-4-15(14)12-16/h1-10,12H,11H2
InChIKeyUJROCOBXWSEMLQ-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.31
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116550965
1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 105093000
4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 24723939
2-[2-[4-(trifluoromethyl)phenyl]acetyl]benzoic acid
CID 159416871
4-O-(naphthalen-2-ylmethyl) 1-O-[[4-(trifluoromethyl)phenyl]methyl] piperazine-1,4-dicarboxylate
CID 101044684
1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 114971487
1-(3-chlorophenyl)-2-naphthalen-2-ylethanone
CID 63528199
4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylic acid
CID 62116453
2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 24723916

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone (CID 154014777) is 1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is UJROCOBXWSEMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3O/c20-19(21,22)17-9-5-13(6-10-17)11-18(23)16-8-7-14-3-1-2-4-15(14)12-16/h1-10,12H,11H2.
What are the key properties of 1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 314.31 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 154014777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).