2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone

C14H11FOS — CID 155354849

IUPAC2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1ccc(S)cc1
InChIInChI=1S/C14H11FOS/c15-12-3-1-2-10(8-12)9-14(16)11-4-6-13(17)7-5-11/h1-8,17H,9H2
InChIKeyMAXGSSVGAPJMKQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.54
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone

2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone (PubChem CID 155354849) has the molecular formula C14H11FOS and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone
PubChem CID155354849
Molecular FormulaC14H11FOS
Molecular Weight246.31 g/mol
Exact Mass246.05
IUPAC Name2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1ccc(S)cc1
InChIInChI=1S/C14H11FOS/c15-12-3-1-2-10(8-12)9-14(16)11-4-6-13(17)7-5-11/h1-8,17H,9H2
InChIKeyMAXGSSVGAPJMKQ-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
2-(3-fluorophenyl)-1-pyridin-3-ylethanone
CID 60797988
1-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone
CID 116609736
4-[3-(3-fluorophenyl)propanoyl]benzoic acid
CID 82123939
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379558
2-(3-fluorophenyl)-1-quinolin-6-ylethanone
CID 63096139
2-(3-fluorophenyl)-1-(4-methyl-3-nitrophenyl)ethanone
CID 61079539
2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone
CID 61079352
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone (CID 155354849) is 2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone is O=C(Cc1cccc(F)c1)c1ccc(S)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone?
The InChIKey is MAXGSSVGAPJMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FOS/c15-12-3-1-2-10(8-12)9-14(16)11-4-6-13(17)7-5-11/h1-8,17H,9H2.
What are the key properties of 2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone?
2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone has a molecular weight of 246.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(4-sulfanylphenyl)ethanone is sourced from PubChem (CID 155354849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).