1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene

C9H7BrF2S — CID 131219284

IUPAC1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene
SMILESC=C(Br)CSc1ccc(F)cc1F
InChIInChI=1S/C9H7BrF2S/c1-6(10)5-13-9-3-2-7(11)4-8(9)12/h2-4H,1,5H2
InChIKeyGOLHYPPORKFACN-UHFFFAOYSA-N
MW265.12 g/mol
LogP3.97
Rot. Bonds3

About 1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene

1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene (PubChem CID 131219284) has the molecular formula C9H7BrF2S and a molecular weight of 265.12 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene
PubChem CID131219284
Molecular FormulaC9H7BrF2S
Molecular Weight265.12 g/mol
Exact Mass263.94
IUPAC Name1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene
SMILESC=C(Br)CSc1ccc(F)cc1F
InChIInChI=1S/C9H7BrF2S/c1-6(10)5-13-9-3-2-7(11)4-8(9)12/h2-4H,1,5H2
InChIKeyGOLHYPPORKFACN-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-difluorophenyl)sulfanylacetate
CID 7129456
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3-(2-bromoprop-2-enylsulfanyl)-4-fluorobenzoic acid
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2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
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2-(2,4-difluorophenyl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 43224802
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914
4-(2-bromoprop-2-enylsulfanyl)-3-methylaniline
CID 60872244
5-fluoro-2-(2-methylprop-2-enylsulfanyl)aniline
CID 43304435
2-(2,4-difluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724718
1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol
CID 114496170

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene?
The IUPAC name of 1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene (CID 131219284) is 1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene.
What is the SMILES notation for 1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene?
The canonical SMILES for 1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene is C=C(Br)CSc1ccc(F)cc1F.
What is the InChIKey of 1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene?
The InChIKey is GOLHYPPORKFACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2S/c1-6(10)5-13-9-3-2-7(11)4-8(9)12/h2-4H,1,5H2.
What are the key properties of 1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene?
1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene has a molecular weight of 265.12 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene is sourced from PubChem (CID 131219284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).