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

C16H13FO — CID 125478212

IUPAC(2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CC[C@H]1c1ccccc1F
InChIInChI=1S/C16H13FO/c17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18/h1-8,14H,9-10H2/t14-/m0/s1
InChIKeyAIGSSKZCIBLOAS-AWEZNQCLSA-N
MW240.28 g/mol
LogP3.74
Rot. Bonds1

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

(2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 125478212) has the molecular formula C16H13FO and a molecular weight of 240.28 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID125478212
Molecular FormulaC16H13FO
Molecular Weight240.28 g/mol
Exact Mass240.10
IUPAC Name(2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CC[C@H]1c1ccccc1F
InChIInChI=1S/C16H13FO/c17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18/h1-8,14H,9-10H2/t14-/m0/s1
InChIKeyAIGSSKZCIBLOAS-AWEZNQCLSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 129404838
(2R)-2-(2-fluorophenyl)cyclobutan-1-one
CID 129416043
(3R)-3-(2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 124528047
(2S)-2-naphthalen-2-yl-3,4-dihydro-2H-naphthalen-1-one
CID 90280813
(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 98051177
2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one
CID 91269065
2-(2-fluorophenyl)-6-hydroxy-2,3-dihydroinden-1-one
CID 141285969
2,10b-dihydro-1H-aceanthrylen-6-one
CID 176639548
3-(2-fluorophenyl)oxan-2-one
CID 121220239
2-(2-oxocyclobutyl)-3,4-dihydro-2H-naphthalen-1-one
CID 13419689
2-(2,3-dihydro-1H-inden-1-yl)-6-fluorophenol
CID 173126795
2-propyl-3,4-dihydro-2H-naphthalen-1-one
CID 10877906

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one (CID 125478212) is (2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CC[C@H]1c1ccccc1F.
What is the InChIKey of (2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is AIGSSKZCIBLOAS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13FO/c17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18/h1-8,14H,9-10H2/t14-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one?
(2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 240.28 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 125478212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).