1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone

C18H17FOS — CID 116505636

IUPAC1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(F)cc1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H17FOS/c19-16-8-10-17(11-9-16)21-12-18(20)15-6-4-14(5-7-15)13-2-1-3-13/h4-11,13H,1-3,12H2
InChIKeyBSFKVAAGBJZHLI-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.07
Rot. Bonds5

About 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone

1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone (PubChem CID 116505636) has the molecular formula C18H17FOS and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone
PubChem CID116505636
Molecular FormulaC18H17FOS
Molecular Weight300.40 g/mol
Exact Mass300.10
IUPAC Name1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(F)cc1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H17FOS/c19-16-8-10-17(11-9-16)21-12-18(20)15-6-4-14(5-7-15)13-2-1-3-13/h4-11,13H,1-3,12H2
InChIKeyBSFKVAAGBJZHLI-UHFFFAOYSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone
CID 116505606
4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile
CID 43225044
2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone
CID 116505609
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone
CID 43232259
1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
CID 71165542
2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone
CID 51072855
N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide
CID 17432923
4-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032607
(E)-4-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22784725
2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 4037222
1-(4-cyclobutylphenyl)-2-(methylamino)ethanone
CID 116553849
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone (CID 116505636) is 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone is O=C(CSc1ccc(F)cc1)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone?
The InChIKey is BSFKVAAGBJZHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FOS/c19-16-8-10-17(11-9-16)21-12-18(20)15-6-4-14(5-7-15)13-2-1-3-13/h4-11,13H,1-3,12H2.
What are the key properties of 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone?
1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone has a molecular weight of 300.40 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone is sourced from PubChem (CID 116505636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).