1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one

C15H18BrFOS — CID 65139930

IUPAC1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
SMILESO=C(CSC1CCCCC1)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H18BrFOS/c16-12-6-7-15(17)11(8-12)9-13(18)10-19-14-4-2-1-3-5-14/h6-8,14H,1-5,9-10H2
InChIKeyIAQNCLLOBBIIBX-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.77
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one

1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one (PubChem CID 65139930) has the molecular formula C15H18BrFOS and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
PubChem CID65139930
Molecular FormulaC15H18BrFOS
Molecular Weight345.28 g/mol
Exact Mass344.02
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
SMILESO=C(CSC1CCCCC1)Cc1cc(Br)ccc1F
InChIInChI=1S/C15H18BrFOS/c16-12-6-7-15(17)11(8-12)9-13(18)10-19-14-4-2-1-3-5-14/h6-8,14H,1-5,9-10H2
InChIKeyIAQNCLLOBBIIBX-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-cyclooctylethanone
CID 80602139
1-(5-bromo-2-fluorophenyl)-3-(cyclopentylamino)propan-2-one
CID 116559176
1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 103039382
1-(5-bromo-2-fluorophenyl)-3-tert-butylsulfanylpropan-2-one
CID 65133139
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-one
CID 103039381
1-(2-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139931
1-(4-bromothiophen-2-yl)-3-cyclohexylsulfanylpropan-2-one
CID 65139576
2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone
CID 62622639
1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 116595335
1-[1-(aminomethyl)cyclohexyl]-3-(5-bromo-2-fluorophenyl)propan-2-one
CID 116614498
1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one
CID 105405282
2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547913

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one (CID 65139930) is 1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one is O=C(CSC1CCCCC1)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one?
The InChIKey is IAQNCLLOBBIIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFOS/c16-12-6-7-15(17)11(8-12)9-13(18)10-19-14-4-2-1-3-5-14/h6-8,14H,1-5,9-10H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one?
1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one has a molecular weight of 345.28 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one is sourced from PubChem (CID 65139930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).