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

C11H14BrFOS — CID 90450976

IUPAC2-bromo-4-(2-ethoxypropylsulfanyl)-1-fluorobenzene
SMILESCCOC(C)CSc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFOS/c1-3-14-8(2)7-15-9-4-5-11(13)10(12)6-9/h4-6,8H,3,7H2,1-2H3
InChIKeyXVCYIULETFOSTQ-UHFFFAOYSA-N
MW293.20 g/mol
LogP4.11
Rot. Bonds5

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

2-bromo-4-(2-ethoxypropylsulfanyl)-1-fluorobenzene (PubChem CID 90450976) has the molecular formula C11H14BrFOS and a molecular weight of 293.20 g/mol. Its IUPAC name is 2-bromo-4-(2-ethoxypropylsulfanyl)-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-(2-ethoxypropylsulfanyl)-1-fluorobenzene
PubChem CID90450976
Molecular FormulaC11H14BrFOS
Molecular Weight293.20 g/mol
Exact Mass291.99
IUPAC Name2-bromo-4-(2-ethoxypropylsulfanyl)-1-fluorobenzene
SMILESCCOC(C)CSc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFOS/c1-3-14-8(2)7-15-9-4-5-11(13)10(12)6-9/h4-6,8H,3,7H2,1-2H3
InChIKeyXVCYIULETFOSTQ-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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-ethoxypropylsulfanyl)-1-fluorobenzene?
The IUPAC name of 2-bromo-4-(2-ethoxypropylsulfanyl)-1-fluorobenzene (CID 90450976) is 2-bromo-4-(2-ethoxypropylsulfanyl)-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-(2-ethoxypropylsulfanyl)-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-(2-ethoxypropylsulfanyl)-1-fluorobenzene is CCOC(C)CSc1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-4-(2-ethoxypropylsulfanyl)-1-fluorobenzene?
The InChIKey is XVCYIULETFOSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFOS/c1-3-14-8(2)7-15-9-4-5-11(13)10(12)6-9/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 2-bromo-4-(2-ethoxypropylsulfanyl)-1-fluorobenzene?
2-bromo-4-(2-ethoxypropylsulfanyl)-1-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 2-bromo-4-(2-ethoxypropylsulfanyl)-1-fluorobenzene is sourced from PubChem (CID 90450976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).