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

C16H12ClFO — CID 102058457

IUPAC6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCC(c2cccc(F)c2)c2cc(Cl)ccc21
InChIInChI=1S/C16H12ClFO/c17-11-4-5-14-15(9-11)13(6-7-16(14)19)10-2-1-3-12(18)8-10/h1-5,8-9,13H,6-7H2
InChIKeyAZJMLGGXWDLGHF-UHFFFAOYSA-N
MW274.72 g/mol
LogP4.59
Rot. Bonds1

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

6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 102058457) has the molecular formula C16H12ClFO and a molecular weight of 274.72 g/mol. Its IUPAC name is 6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID102058457
Molecular FormulaC16H12ClFO
Molecular Weight274.72 g/mol
Exact Mass274.06
IUPAC Name6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCC(c2cccc(F)c2)c2cc(Cl)ccc21
InChIInChI=1S/C16H12ClFO/c17-11-4-5-14-15(9-11)13(6-7-16(14)19)10-2-1-3-12(18)8-10/h1-5,8-9,13H,6-7H2
InChIKeyAZJMLGGXWDLGHF-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
CID 102058464
(2R)-2-(3-fluorophenyl)cyclobutan-1-one
CID 129416002
(3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one
CID 129390835
6-methyl-4-(4-methylphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 12705983
(3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one
CID 129405671
4-(5-chloro-2-fluorophenyl)-3-(3-fluorophenyl)piperidine
CID 114867327
4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 118087557
(3S,4S)-2-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 24813116
(2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one
CID 125483612
4-(5-chloro-2-fluorophenyl)cyclohexan-1-one
CID 116963365
(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one
CID 95369037
3-(3-fluorophenyl)-2-methylcyclopentan-1-one
CID 64910252

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one (CID 102058457) is 6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCC(c2cccc(F)c2)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is AZJMLGGXWDLGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFO/c17-11-4-5-14-15(9-11)13(6-7-16(14)19)10-2-1-3-12(18)8-10/h1-5,8-9,13H,6-7H2.
What are the key properties of 6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 274.72 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 102058457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).