1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene

C11H14BrFOS — CID 90450969

IUPAC1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene
SMILESCCOC(C)CSc1ccc(Br)c(F)c1
InChIInChI=1S/C11H14BrFOS/c1-3-14-8(2)7-15-9-4-5-10(12)11(13)6-9/h4-6,8H,3,7H2,1-2H3
InChIKeyPZKUXQUVGKGOPM-UHFFFAOYSA-N
MW293.20 g/mol
LogP4.11
Rot. Bonds5

About 1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene

1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene (PubChem CID 90450969) has the molecular formula C11H14BrFOS and a molecular weight of 293.20 g/mol. Its IUPAC name is 1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene
PubChem CID90450969
Molecular FormulaC11H14BrFOS
Molecular Weight293.20 g/mol
Exact Mass291.99
IUPAC Name1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene
SMILESCCOC(C)CSc1ccc(Br)c(F)c1
InChIInChI=1S/C11H14BrFOS/c1-3-14-8(2)7-15-9-4-5-10(12)11(13)6-9/h4-6,8H,3,7H2,1-2H3
InChIKeyPZKUXQUVGKGOPM-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene?
The IUPAC name of 1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene (CID 90450969) is 1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene is CCOC(C)CSc1ccc(Br)c(F)c1.
What is the InChIKey of 1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene?
The InChIKey is PZKUXQUVGKGOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFOS/c1-3-14-8(2)7-15-9-4-5-10(12)11(13)6-9/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene?
1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene has a molecular weight of 293.20 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-ethoxypropylsulfanyl)-2-fluorobenzene is sourced from PubChem (CID 90450969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).