2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone

C14H10ClFOS — CID 54255060

IUPAC2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone
SMILESO=C(CSc1cc(Cl)ccc1F)c1ccccc1
InChIInChI=1S/C14H10ClFOS/c15-11-6-7-12(16)14(8-11)18-9-13(17)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyQZLGQQZIIRCURY-UHFFFAOYSA-N
MW280.75 g/mol
LogP4.45
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone

2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone (PubChem CID 54255060) has the molecular formula C14H10ClFOS and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone
PubChem CID54255060
Molecular FormulaC14H10ClFOS
Molecular Weight280.75 g/mol
Exact Mass280.01
IUPAC Name2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone
SMILESO=C(CSc1cc(Cl)ccc1F)c1ccccc1
InChIInChI=1S/C14H10ClFOS/c15-11-6-7-12(16)14(8-11)18-9-13(17)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyQZLGQQZIIRCURY-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone
CID 43414111
1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone
CID 43226528
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043
1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916
2-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 43412234
2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride
CID 141029178
N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide
CID 7489443
1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
CID 43413761
2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone
CID 107128341
2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydroxyphenyl)ethanone
CID 43218405
1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 840044
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone (CID 54255060) is 2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone is O=C(CSc1cc(Cl)ccc1F)c1ccccc1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone?
The InChIKey is QZLGQQZIIRCURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFOS/c15-11-6-7-12(16)14(8-11)18-9-13(17)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone?
2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone has a molecular weight of 280.75 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone is sourced from PubChem (CID 54255060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).