1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene

C12H14BrFO — CID 130246299

IUPAC1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene
SMILESFCCOC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H14BrFO/c13-11-3-1-9(2-4-11)10-7-12(8-10)15-6-5-14/h1-4,10,12H,5-8H2
InChIKeyGQVAWJYWIJXNMM-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.68
Rot. Bonds4

About 1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene

1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene (PubChem CID 130246299) has the molecular formula C12H14BrFO and a molecular weight of 273.15 g/mol. Its IUPAC name is 1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene
PubChem CID130246299
Molecular FormulaC12H14BrFO
Molecular Weight273.15 g/mol
Exact Mass272.02
IUPAC Name1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene
SMILESFCCOC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H14BrFO/c13-11-3-1-9(2-4-11)10-7-12(8-10)15-6-5-14/h1-4,10,12H,5-8H2
InChIKeyGQVAWJYWIJXNMM-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene?
The IUPAC name of 1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene (CID 130246299) is 1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene.
What is the SMILES notation for 1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene?
The canonical SMILES for 1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene is FCCOC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene?
The InChIKey is GQVAWJYWIJXNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c13-11-3-1-9(2-4-11)10-7-12(8-10)15-6-5-14/h1-4,10,12H,5-8H2.
What are the key properties of 1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene?
1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene has a molecular weight of 273.15 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene is sourced from PubChem (CID 130246299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).