4-bromo-2-fluoro-1-propoxybenzene

C9H10BrFO — CID 14618247

IUPAC4-bromo-2-fluoro-1-propoxybenzene
SMILESCCCOc1ccc(Br)cc1F
InChIInChI=1S/C9H10BrFO/c1-2-5-12-9-4-3-7(10)6-8(9)11/h3-4,6H,2,5H2,1H3
InChIKeyMHEJXUAOBZGJKW-UHFFFAOYSA-N
MW233.08 g/mol
LogP3.38
Rot. Bonds3

About 4-bromo-2-fluoro-1-propoxybenzene

4-bromo-2-fluoro-1-propoxybenzene (PubChem CID 14618247) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-propoxybenzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-propoxybenzene
PubChem CID14618247
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name4-bromo-2-fluoro-1-propoxybenzene
SMILESCCCOc1ccc(Br)cc1F
InChIInChI=1S/C9H10BrFO/c1-2-5-12-9-4-3-7(10)6-8(9)11/h3-4,6H,2,5H2,1H3
InChIKeyMHEJXUAOBZGJKW-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-propoxybenzene?
The IUPAC name of 4-bromo-2-fluoro-1-propoxybenzene (CID 14618247) is 4-bromo-2-fluoro-1-propoxybenzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-propoxybenzene?
The canonical SMILES for 4-bromo-2-fluoro-1-propoxybenzene is CCCOc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-1-propoxybenzene?
The InChIKey is MHEJXUAOBZGJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-2-5-12-9-4-3-7(10)6-8(9)11/h3-4,6H,2,5H2,1H3.
What are the key properties of 4-bromo-2-fluoro-1-propoxybenzene?
4-bromo-2-fluoro-1-propoxybenzene has a molecular weight of 233.08 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-propoxybenzene is sourced from PubChem (CID 14618247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).