7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one

C16H12F2O — CID 19036893

IUPAC7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(-c3ccc(F)cc3)c(F)cc21
InChIInChI=1S/C16H12F2O/c17-12-6-4-10(5-7-12)13-8-11-2-1-3-16(19)14(11)9-15(13)18/h4-9H,1-3H2
InChIKeyMIXDBFSBKHQBMH-UHFFFAOYSA-N
MW258.27 g/mol
LogP4.15
Rot. Bonds1

About 7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one

7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 19036893) has the molecular formula C16H12F2O and a molecular weight of 258.27 g/mol. Its IUPAC name is 7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID19036893
Molecular FormulaC16H12F2O
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(-c3ccc(F)cc3)c(F)cc21
InChIInChI=1S/C16H12F2O/c17-12-6-4-10(5-7-12)13-8-11-2-1-3-16(19)14(11)9-15(13)18/h4-9H,1-3H2
InChIKeyMIXDBFSBKHQBMH-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one (CID 19036893) is 7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(-c3ccc(F)cc3)c(F)cc21.
What is the InChIKey of 7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is MIXDBFSBKHQBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O/c17-12-6-4-10(5-7-12)13-8-11-2-1-3-16(19)14(11)9-15(13)18/h4-9H,1-3H2.
What are the key properties of 7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 258.27 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 19036893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).