1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene

C10H10BrFS — CID 134853127

IUPAC1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene
SMILESCCSC(F)=Cc1ccc(Br)cc1
InChIInChI=1S/C10H10BrFS/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-7H,2H2,1H3
InChIKeyKIQHBMDXBWVFHD-UHFFFAOYSA-N
MW261.16 g/mol
LogP4.47
Rot. Bonds3

About 1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene

1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene (PubChem CID 134853127) has the molecular formula C10H10BrFS and a molecular weight of 261.16 g/mol. Its IUPAC name is 1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene
PubChem CID134853127
Molecular FormulaC10H10BrFS
Molecular Weight261.16 g/mol
Exact Mass259.97
IUPAC Name1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene
SMILESCCSC(F)=Cc1ccc(Br)cc1
InChIInChI=1S/C10H10BrFS/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-7H,2H2,1H3
InChIKeyKIQHBMDXBWVFHD-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene?
The IUPAC name of 1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene (CID 134853127) is 1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene?
The canonical SMILES for 1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene is CCSC(F)=Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene?
The InChIKey is KIQHBMDXBWVFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFS/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-7H,2H2,1H3.
What are the key properties of 1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene?
1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene has a molecular weight of 261.16 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-ethylsulfanyl-2-fluoroethenyl)benzene is sourced from PubChem (CID 134853127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).