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

C16H12F2O — CID 19861924

IUPAC6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(F)cc2CCC1c1ccc(F)cc1
InChIInChI=1S/C16H12F2O/c17-12-4-1-10(2-5-12)14-7-3-11-9-13(18)6-8-15(11)16(14)19/h1-2,4-6,8-9,14H,3,7H2
InChIKeyALSQDOIJJNZMGB-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.88
Rot. Bonds1

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

6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 19861924) has the molecular formula C16H12F2O and a molecular weight of 258.27 g/mol. Its IUPAC name is 6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID19861924
Molecular FormulaC16H12F2O
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(F)cc2CCC1c1ccc(F)cc1
InChIInChI=1S/C16H12F2O/c17-12-4-1-10(2-5-12)14-7-3-11-9-13(18)6-8-15(11)16(14)19/h1-2,4-6,8-9,14H,3,7H2
InChIKeyALSQDOIJJNZMGB-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one (CID 19861924) is 6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccc(F)cc2CCC1c1ccc(F)cc1.
What is the InChIKey of 6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ALSQDOIJJNZMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O/c17-12-4-1-10(2-5-12)14-7-3-11-9-13(18)6-8-15(11)16(14)19/h1-2,4-6,8-9,14H,3,7H2.
What are the key properties of 6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 258.27 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 19861924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).