1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone

C18H13FOS — CID 43226526

IUPAC1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone
SMILESO=C(CSc1ccc2ccccc2c1)c1cccc(F)c1
InChIInChI=1S/C18H13FOS/c19-16-7-3-6-15(10-16)18(20)12-21-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12H2
InChIKeyJPRKNNSDMBPNDX-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.95
Rot. Bonds4

About 1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone

1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone (PubChem CID 43226526) has the molecular formula C18H13FOS and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone
PubChem CID43226526
Molecular FormulaC18H13FOS
Molecular Weight296.37 g/mol
Exact Mass296.07
IUPAC Name1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone
SMILESO=C(CSc1ccc2ccccc2c1)c1cccc(F)c1
InChIInChI=1S/C18H13FOS/c19-16-7-3-6-15(10-16)18(20)12-21-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12H2
InChIKeyJPRKNNSDMBPNDX-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43226534
1-(3-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43411868
2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone
CID 91880258
1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone
CID 43226528
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(3-fluorophenyl)ethanone
CID 8676248
1-(4-iodophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43218764
1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 840044
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
CID 43802304
1-(4-fluoro-3-methylphenyl)-2-(3-fluorophenyl)sulfanylethanone
CID 66072671
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone
CID 7489262
2-(3-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethanone
CID 66070805
1-(3-fluoro-5-methylphenyl)-2-phenylsulfanylethanone
CID 79704304

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone (CID 43226526) is 1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone is O=C(CSc1ccc2ccccc2c1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone?
The InChIKey is JPRKNNSDMBPNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FOS/c19-16-7-3-6-15(10-16)18(20)12-21-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12H2.
What are the key properties of 1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone?
1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone has a molecular weight of 296.37 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone is sourced from PubChem (CID 43226526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).