(2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone

C11H10BrFOS — CID 162524008

IUPAC(2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone
SMILESCSc1ccc(F)c(C(=O)C2CC2)c1Br
InChIInChI=1S/C11H10BrFOS/c1-15-8-5-4-7(13)9(10(8)12)11(14)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyXAUXRYFMUIUTPC-UHFFFAOYSA-N
MW289.17 g/mol
LogP3.90
Rot. Bonds3

About (2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone

(2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone (PubChem CID 162524008) has the molecular formula C11H10BrFOS and a molecular weight of 289.17 g/mol. Its IUPAC name is (2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone
PubChem CID162524008
Molecular FormulaC11H10BrFOS
Molecular Weight289.17 g/mol
Exact Mass287.96
IUPAC Name(2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone
SMILESCSc1ccc(F)c(C(=O)C2CC2)c1Br
InChIInChI=1S/C11H10BrFOS/c1-15-8-5-4-7(13)9(10(8)12)11(14)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyXAUXRYFMUIUTPC-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Bromo-6-fluoro-3-(methylthio)phenyl)-2,2,2-trifluoroethanone
CID 167528147
1-(2-Bromo-6-fluoro-3-methylsulfonylphenyl)-2,2,2-trifluoroethanone
CID 167528189
2-(2-Bromophenyl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 43231171
2-(2-Bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanone
CID 43231184
2-(2-Bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanone
CID 43231219
2-(2-Bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanone
CID 43231221
2-(2-Bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one
CID 43232305
2-(2-Bromophenyl)sulfanyl-1-(2,4-difluorophenyl)propan-1-one
CID 43232377
1-[2-(2-Bromophenyl)sulfanyl-6-fluorophenyl]ethanone
CID 43236101
[5-(2-Bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone
CID 43331778
1-(2-Bromophenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 43411704
1-(2-Bromophenyl)-2-(2-fluorophenyl)sulfanylethanone
CID 43412000

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone?
The IUPAC name of (2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone (CID 162524008) is (2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone.
What is the SMILES notation for (2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone?
The canonical SMILES for (2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone is CSc1ccc(F)c(C(=O)C2CC2)c1Br.
What is the InChIKey of (2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone?
The InChIKey is XAUXRYFMUIUTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFOS/c1-15-8-5-4-7(13)9(10(8)12)11(14)6-2-3-6/h4-6H,2-3H2,1H3.
What are the key properties of (2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone?
(2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone has a molecular weight of 289.17 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluoro-3-methylsulfanylphenyl)-cyclopropylmethanone is sourced from PubChem (CID 162524008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).