2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone

C18H13FOS — CID 162404391

IUPAC2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone
SMILESO=C(c1ccccc1)C(F)Sc1ccc2ccccc2c1
InChIInChI=1S/C18H13FOS/c19-18(17(20)14-7-2-1-3-8-14)21-16-11-10-13-6-4-5-9-15(13)12-16/h1-12,18H
InChIKeyKLLJOZFALZJKFC-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.11
Rot. Bonds4

About 2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone

2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone (PubChem CID 162404391) has the molecular formula C18H13FOS and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone
PubChem CID162404391
Molecular FormulaC18H13FOS
Molecular Weight296.37 g/mol
Exact Mass296.07
IUPAC Name2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone
SMILESO=C(c1ccccc1)C(F)Sc1ccc2ccccc2c1
InChIInChI=1S/C18H13FOS/c19-18(17(20)14-7-2-1-3-8-14)21-16-11-10-13-6-4-5-9-15(13)12-16/h1-12,18H
InChIKeyKLLJOZFALZJKFC-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone 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

Methanone, (4-((4-methylphenyl)thio)phenyl)phenyl-
CID 174341
Mls000756557
CID 312601
2-(7-Oxo-7H-benz(DE)anthracen-3-ylthio)acetic acid
CID 50603
2-(p-Tolylthio)naphthalene-1,4-dione
CID 15032092
14H-anthra[2,1,9-mna]thioxanthen-14-one
CID 85358
Anthraquinone, 2-(phenylthio)-
CID 25906
2-phenyl-4H-benzo[h]thiochromen-4-one
CID 830498
2-(2-Fluorophenyl)benzo[h]thiochromen-4-one
CID 155552491
1,2-Naphthoquinone, 4-(phenylthio)-
CID 617220
4-(4-Methylphenyl)sulfanylnaphthalene-1,2-dione
CID 13723594
1-Propanone, 1,3-diphenyl-3-(phenylthio)-
CID 3753151
2,3-Bis(phenylsulfanyl)naphthalene-1,4-dione
CID 15890879

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone?
The IUPAC name of 2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone (CID 162404391) is 2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone.
What is the SMILES notation for 2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone?
The canonical SMILES for 2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone is O=C(c1ccccc1)C(F)Sc1ccc2ccccc2c1.
What is the InChIKey of 2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone?
The InChIKey is KLLJOZFALZJKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FOS/c19-18(17(20)14-7-2-1-3-8-14)21-16-11-10-13-6-4-5-9-15(13)12-16/h1-12,18H.
What are the key properties of 2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone?
2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone has a molecular weight of 296.37 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-naphthalen-2-ylsulfanyl-1-phenylethanone is sourced from PubChem (CID 162404391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).