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

Related Compounds

6-hydroxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-one
CID 158814676
2-chloro-5-fluoro-2,3-dihydroinden-1-one
CID 116531382
(2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one
CID 98010345
(2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one
CID 86313607
(2S)-2-naphthalen-2-yl-3,4-dihydro-2H-naphthalen-1-one
CID 90280813
8-fluoro-3-(4-fluorophenyl)-1,3,4,5-tetrahydro-1-benzazepine-2-thione
CID 21153722
ethane;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 144695730
2-[(2S)-6-fluoro-3-oxo-1,2-dihydroinden-2-yl]acetic acid
CID 93492412
(1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 162577520
acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 154678052
8-fluoro-2,4,5,6-tetrahydro-1H-benzo[h]quinolin-3-one
CID 22165477
2-benzoyl-5-fluoro-2,3-dihydroinden-1-one
CID 116531409

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).